USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 854 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD Set 1.1: A 126 SER OG : rot -84:sc= 0.311 USER MOD Set 1.2: A 127 SER OG : rot 180:sc= 0.294 USER MOD Set 2.1: A 51 HIS : no HE2:sc= 0.844 K(o=2,f=-7.5!) USER MOD Set 2.2: A 55 TYR OH : rot 22:sc= 1.17 USER MOD Set 3.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.12) USER MOD Single : A 25 SER OG : rot 103:sc= 1.18 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -64:sc= 0.604 USER MOD Single : A 38 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= 1.12 (180deg=0.175) USER MOD Single : A 40 HIS : no HE2:sc= 0.473 K(o=0.47,f=-2.4) USER MOD Single : A 41 ASN : amide:sc= 0.32 K(o=0.32,f=-4.9!) USER MOD Single : A 42 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-2.1) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -24:sc= 0.335 USER MOD Single : A 52 HIS : no HD1:sc=-0.00619 X(o=-0.0062,f=-0.0062) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= 0.697 (180deg=-1.83!) USER MOD Single : A 58 THR OG1 : rot -95:sc= 1.31 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 1.06 K(o=1.1,f=-0.25) USER MOD Single : A 80 THR OG1 : rot -31:sc= -0.64 USER MOD Single : A 82 ASN :FLIP amide:sc= -0.161 F(o=-3.5!,f=-0.16) USER MOD Single : A 89 SER OG : rot 114:sc= 1.17 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -114:sc= 1.24 USER MOD Single : A 97 LYS NZ :NH3+ -142:sc= 1.12 (180deg=-0.0381) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 105 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-5.1!) USER MOD Single : A 111 LYS NZ :NH3+ 157:sc= -0.488 (180deg=-0.745) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.0191 F(o=-0.73,f=-0.019) USER MOD Single : A 114 LYS NZ :NH3+ -139:sc= -0.218 (180deg=-1.43) USER MOD Single : A 118 THR OG1 : rot 24:sc= 0.531 USER MOD Single : A 121 THR OG1 : rot -150:sc= -0.14 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 39:sc= 0.709 USER MOD Single : A 129 HEM CMA :methyl -30:sc= -0.203 (180deg=-0.319) USER MOD Single : A 129 HEM CMB :methyl -30:sc= -0.0832 (180deg=-2.35!) USER MOD Single : A 129 HEM CMC :methyl -30:sc= -0.996 (180deg=-3.71!) USER MOD Single : A 129 HEM CMD :methyl -30:sc= -3.09! (180deg=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 14.327 -4.498 -4.533 1.00 14.68 N ATOM 2 CA MET A 21 15.221 -4.904 -5.630 1.00 14.32 C ATOM 3 C MET A 21 14.549 -5.927 -6.542 1.00 13.51 C ATOM 4 O MET A 21 14.120 -5.601 -7.647 1.00 13.68 O ATOM 5 CB MET A 21 16.533 -5.473 -5.068 1.00 14.15 C ATOM 6 CG MET A 21 17.506 -5.984 -6.122 1.00 14.65 C ATOM 7 SD MET A 21 18.944 -6.788 -5.383 1.00 15.21 S ATOM 8 CE MET A 21 19.850 -7.276 -6.849 1.00 15.63 C ATOM 0 HA MET A 21 15.445 -4.018 -6.225 1.00 14.32 H new ATOM 0 HB2 MET A 21 17.027 -4.699 -4.481 1.00 14.15 H new ATOM 0 HB3 MET A 21 16.297 -6.289 -4.385 1.00 14.15 H new ATOM 0 HG2 MET A 21 16.994 -6.689 -6.777 1.00 14.65 H new ATOM 0 HG3 MET A 21 17.836 -5.152 -6.744 1.00 14.65 H new ATOM 0 HE1 MET A 21 20.767 -7.787 -6.557 1.00 15.63 H new ATOM 0 HE2 MET A 21 19.236 -7.947 -7.449 1.00 15.63 H new ATOM 0 HE3 MET A 21 20.099 -6.391 -7.434 1.00 15.63 H new ATOM 18 N ALA A 22 14.438 -7.146 -6.034 1.00 12.77 N ATOM 19 CA ALA A 22 13.868 -8.277 -6.757 1.00 12.10 C ATOM 20 C ALA A 22 13.886 -9.504 -5.860 1.00 11.21 C ATOM 21 O ALA A 22 13.232 -10.509 -6.142 1.00 11.30 O ATOM 22 CB ALA A 22 14.636 -8.551 -8.044 1.00 12.20 C ATOM 0 H ALA A 22 14.747 -7.382 -5.091 1.00 12.77 H new ATOM 0 HA ALA A 22 12.840 -8.037 -7.030 1.00 12.10 H new ATOM 0 HB1 ALA A 22 14.188 -9.399 -8.561 1.00 12.20 H new ATOM 0 HB2 ALA A 22 14.595 -7.671 -8.686 1.00 12.20 H new ATOM 0 HB3 ALA A 22 15.675 -8.778 -7.806 1.00 12.20 H new ATOM 28 N GLU A 23 14.643 -9.385 -4.769 1.00 10.56 N ATOM 29 CA GLU A 23 14.804 -10.443 -3.786 1.00 9.86 C ATOM 30 C GLU A 23 15.411 -11.686 -4.438 1.00 9.83 C ATOM 31 O GLU A 23 16.621 -11.727 -4.652 1.00 10.22 O ATOM 32 CB GLU A 23 13.470 -10.755 -3.090 1.00 8.92 C ATOM 33 CG GLU A 23 13.630 -11.501 -1.777 1.00 9.14 C ATOM 34 CD GLU A 23 14.557 -10.781 -0.817 1.00 9.74 C ATOM 35 OE1 GLU A 23 14.247 -9.635 -0.438 1.00 9.87 O ATOM 36 OE2 GLU A 23 15.591 -11.368 -0.431 1.00 10.29 O ATOM 0 H GLU A 23 15.166 -8.538 -4.545 1.00 10.56 H new ATOM 0 HA GLU A 23 15.495 -10.102 -3.015 1.00 9.86 H new ATOM 0 HB2 GLU A 23 12.939 -9.821 -2.905 1.00 8.92 H new ATOM 0 HB3 GLU A 23 12.849 -11.348 -3.762 1.00 8.92 H new ATOM 0 HG2 GLU A 23 12.653 -11.626 -1.311 1.00 9.14 H new ATOM 0 HG3 GLU A 23 14.019 -12.500 -1.974 1.00 9.14 H new ATOM 43 N GLN A 24 14.556 -12.654 -4.789 1.00 9.65 N ATOM 44 CA GLN A 24 14.947 -13.841 -5.559 1.00 9.95 C ATOM 45 C GLN A 24 13.904 -14.940 -5.402 1.00 9.30 C ATOM 46 O GLN A 24 13.538 -15.643 -6.340 1.00 9.57 O ATOM 47 CB GLN A 24 16.315 -14.403 -5.149 1.00 10.36 C ATOM 48 CG GLN A 24 16.842 -15.450 -6.126 1.00 11.10 C ATOM 49 CD GLN A 24 17.259 -14.844 -7.450 1.00 11.88 C ATOM 50 OE1 GLN A 24 18.418 -14.473 -7.647 1.00 12.37 O ATOM 51 NE2 GLN A 24 16.312 -14.736 -8.369 1.00 12.20 N ATOM 0 H GLN A 24 13.566 -12.635 -4.545 1.00 9.65 H new ATOM 0 HA GLN A 24 15.016 -13.517 -6.597 1.00 9.95 H new ATOM 0 HB2 GLN A 24 17.032 -13.585 -5.078 1.00 10.36 H new ATOM 0 HB3 GLN A 24 16.238 -14.846 -4.156 1.00 10.36 H new ATOM 0 HG2 GLN A 24 17.694 -15.964 -5.680 1.00 11.10 H new ATOM 0 HG3 GLN A 24 16.072 -16.202 -6.300 1.00 11.10 H new ATOM 0 HE21 GLN A 24 15.365 -15.055 -8.165 1.00 12.20 H new ATOM 0 HE22 GLN A 24 16.530 -14.333 -9.281 1.00 12.20 H new ATOM 60 N SER A 25 13.424 -15.024 -4.151 1.00 8.66 N ATOM 61 CA SER A 25 12.614 -16.131 -3.651 1.00 8.30 C ATOM 62 C SER A 25 11.271 -16.245 -4.341 1.00 7.40 C ATOM 63 O SER A 25 10.978 -17.253 -4.971 1.00 7.32 O ATOM 64 CB SER A 25 12.383 -15.950 -2.149 1.00 8.45 C ATOM 65 OG SER A 25 11.845 -14.665 -1.866 1.00 8.80 O ATOM 0 H SER A 25 13.596 -14.305 -3.448 1.00 8.66 H new ATOM 0 HA SER A 25 13.166 -17.047 -3.861 1.00 8.30 H new ATOM 0 HB2 SER A 25 11.702 -16.721 -1.787 1.00 8.45 H new ATOM 0 HB3 SER A 25 13.324 -16.079 -1.615 1.00 8.45 H new ATOM 0 HG SER A 25 10.885 -14.745 -1.687 1.00 8.80 H new ATOM 71 N ASP A 26 10.439 -15.229 -4.180 1.00 7.02 N ATOM 72 CA ASP A 26 9.078 -15.297 -4.686 1.00 6.51 C ATOM 73 C ASP A 26 8.511 -13.924 -5.016 1.00 5.72 C ATOM 74 O ASP A 26 7.352 -13.825 -5.421 1.00 5.93 O ATOM 75 CB ASP A 26 8.181 -15.992 -3.653 1.00 6.68 C ATOM 76 CG ASP A 26 8.123 -15.261 -2.319 1.00 7.05 C ATOM 77 OD1 ASP A 26 9.186 -15.096 -1.675 1.00 7.49 O ATOM 78 OD2 ASP A 26 7.018 -14.878 -1.889 1.00 7.19 O ATOM 0 H ASP A 26 10.678 -14.357 -3.708 1.00 7.02 H new ATOM 0 HA ASP A 26 9.102 -15.869 -5.613 1.00 6.51 H new ATOM 0 HB2 ASP A 26 7.172 -16.078 -4.057 1.00 6.68 H new ATOM 0 HB3 ASP A 26 8.546 -17.006 -3.489 1.00 6.68 H new ATOM 83 N GLU A 27 9.330 -12.882 -4.860 1.00 5.18 N ATOM 84 CA GLU A 27 8.889 -11.492 -5.034 1.00 4.82 C ATOM 85 C GLU A 27 7.873 -11.090 -3.962 1.00 3.91 C ATOM 86 O GLU A 27 8.169 -10.269 -3.092 1.00 4.18 O ATOM 87 CB GLU A 27 8.305 -11.255 -6.433 1.00 5.12 C ATOM 88 CG GLU A 27 7.774 -9.844 -6.640 1.00 5.86 C ATOM 89 CD GLU A 27 8.875 -8.803 -6.763 1.00 6.70 C ATOM 90 OE1 GLU A 27 9.981 -9.037 -6.225 1.00 7.26 O ATOM 91 OE2 GLU A 27 8.651 -7.754 -7.401 1.00 7.03 O ATOM 0 H GLU A 27 10.315 -12.975 -4.610 1.00 5.18 H new ATOM 0 HA GLU A 27 9.773 -10.863 -4.924 1.00 4.82 H new ATOM 0 HB2 GLU A 27 9.074 -11.458 -7.178 1.00 5.12 H new ATOM 0 HB3 GLU A 27 7.498 -11.967 -6.606 1.00 5.12 H new ATOM 0 HG2 GLU A 27 7.160 -9.822 -7.540 1.00 5.86 H new ATOM 0 HG3 GLU A 27 7.125 -9.581 -5.805 1.00 5.86 H new ATOM 98 N ALA A 28 6.678 -11.687 -4.039 1.00 3.15 N ATOM 99 CA ALA A 28 5.590 -11.432 -3.102 1.00 2.43 C ATOM 100 C ALA A 28 5.142 -9.979 -3.147 1.00 1.93 C ATOM 101 O ALA A 28 5.594 -9.188 -3.974 1.00 2.03 O ATOM 102 CB ALA A 28 5.998 -11.821 -1.684 1.00 2.71 C ATOM 0 H ALA A 28 6.442 -12.366 -4.762 1.00 3.15 H new ATOM 0 HA ALA A 28 4.745 -12.050 -3.404 1.00 2.43 H new ATOM 0 HB1 ALA A 28 5.172 -11.623 -1.001 1.00 2.71 H new ATOM 0 HB2 ALA A 28 6.246 -12.882 -1.655 1.00 2.71 H new ATOM 0 HB3 ALA A 28 6.867 -11.236 -1.382 1.00 2.71 H new ATOM 108 N VAL A 29 4.214 -9.654 -2.278 1.00 1.65 N ATOM 109 CA VAL A 29 3.761 -8.294 -2.117 1.00 1.29 C ATOM 110 C VAL A 29 3.830 -7.961 -0.639 1.00 1.04 C ATOM 111 O VAL A 29 3.240 -8.673 0.176 1.00 1.10 O ATOM 112 CB VAL A 29 2.308 -8.110 -2.629 1.00 1.34 C ATOM 113 CG1 VAL A 29 1.917 -6.641 -2.664 1.00 1.70 C ATOM 114 CG2 VAL A 29 2.132 -8.743 -4.005 1.00 1.82 C ATOM 0 H VAL A 29 3.753 -10.325 -1.664 1.00 1.65 H new ATOM 0 HA VAL A 29 4.395 -7.629 -2.703 1.00 1.29 H new ATOM 0 HB VAL A 29 1.645 -8.618 -1.929 1.00 1.34 H new ATOM 0 HG11 VAL A 29 0.894 -6.545 -3.027 1.00 1.70 H new ATOM 0 HG12 VAL A 29 1.987 -6.222 -1.660 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.590 -6.101 -3.330 1.00 1.70 H new ATOM 0 HG21 VAL A 29 1.105 -8.601 -4.342 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.815 -8.272 -4.712 1.00 1.82 H new ATOM 0 HG23 VAL A 29 2.350 -9.809 -3.946 1.00 1.82 H new ATOM 124 N LYS A 30 4.594 -6.937 -0.278 1.00 0.90 N ATOM 125 CA LYS A 30 4.690 -6.554 1.121 1.00 0.79 C ATOM 126 C LYS A 30 3.331 -6.131 1.644 1.00 0.63 C ATOM 127 O LYS A 30 2.729 -5.174 1.150 1.00 0.66 O ATOM 128 CB LYS A 30 5.720 -5.447 1.358 1.00 0.87 C ATOM 129 CG LYS A 30 7.120 -5.792 0.880 1.00 1.26 C ATOM 130 CD LYS A 30 8.138 -4.789 1.403 1.00 2.11 C ATOM 131 CE LYS A 30 8.264 -4.872 2.919 1.00 2.93 C ATOM 132 NZ LYS A 30 9.209 -3.862 3.467 1.00 3.71 N ATOM 0 H LYS A 30 5.145 -6.368 -0.921 1.00 0.90 H new ATOM 0 HA LYS A 30 5.033 -7.431 1.670 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.387 -4.541 0.851 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.757 -5.221 2.424 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.386 -6.794 1.216 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.143 -5.804 -0.210 1.00 1.26 H new ATOM 0 HD2 LYS A 30 9.108 -4.979 0.944 1.00 2.11 H new ATOM 0 HD3 LYS A 30 7.840 -3.781 1.115 1.00 2.11 H new ATOM 0 HE2 LYS A 30 7.282 -4.729 3.371 1.00 2.93 H new ATOM 0 HE3 LYS A 30 8.601 -5.870 3.198 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 9.260 -3.959 4.501 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 10.153 -4.012 3.058 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 8.875 -2.907 3.225 1.00 3.71 H new ATOM 146 N TYR A 31 2.838 -6.861 2.622 1.00 0.56 N ATOM 147 CA TYR A 31 1.566 -6.540 3.227 1.00 0.49 C ATOM 148 C TYR A 31 1.768 -5.814 4.548 1.00 0.50 C ATOM 149 O TYR A 31 2.834 -5.899 5.160 1.00 0.64 O ATOM 150 CB TYR A 31 0.735 -7.801 3.475 1.00 0.56 C ATOM 151 CG TYR A 31 0.527 -8.678 2.261 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.144 -8.188 1.154 1.00 0.61 C ATOM 153 CD2 TYR A 31 1.014 -9.982 2.210 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.332 -8.964 0.028 1.00 0.75 C ATOM 155 CE2 TYR A 31 0.833 -10.767 1.085 1.00 0.94 C ATOM 156 CZ TYR A 31 0.126 -10.335 0.063 1.00 0.89 C ATOM 157 OH TYR A 31 -0.031 -11.017 -1.133 1.00 1.06 O ATOM 0 H TYR A 31 3.300 -7.681 3.014 1.00 0.56 H new ATOM 0 HA TYR A 31 1.031 -5.893 2.531 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.221 -8.391 4.252 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.240 -7.505 3.862 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.528 -7.179 1.172 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.541 -10.387 3.062 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.807 -8.559 -0.853 1.00 0.75 H new ATOM 0 HE2 TYR A 31 1.279 -11.750 1.045 1.00 0.94 H new ATOM 0 HH TYR A 31 0.301 -11.934 -1.033 1.00 1.06 H new ATOM 167 N TYR A 32 0.741 -5.111 4.980 1.00 0.43 N ATOM 168 CA TYR A 32 0.688 -4.541 6.311 1.00 0.46 C ATOM 169 C TYR A 32 -0.698 -4.791 6.883 1.00 0.53 C ATOM 170 O TYR A 32 -1.666 -4.865 6.137 1.00 0.89 O ATOM 171 CB TYR A 32 1.019 -3.043 6.293 1.00 0.46 C ATOM 172 CG TYR A 32 2.478 -2.765 6.005 1.00 0.52 C ATOM 173 CD1 TYR A 32 3.429 -2.829 7.014 1.00 1.09 C ATOM 174 CD2 TYR A 32 2.901 -2.418 4.727 1.00 0.98 C ATOM 175 CE1 TYR A 32 4.760 -2.556 6.760 1.00 1.20 C ATOM 176 CE2 TYR A 32 4.232 -2.145 4.465 1.00 1.03 C ATOM 177 CZ TYR A 32 5.166 -2.292 5.468 1.00 0.81 C ATOM 178 OH TYR A 32 6.482 -1.939 5.232 1.00 0.96 O ATOM 0 H TYR A 32 -0.085 -4.918 4.414 1.00 0.43 H new ATOM 0 HA TYR A 32 1.439 -5.017 6.942 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.405 -2.550 5.540 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.754 -2.606 7.256 1.00 0.46 H new ATOM 0 HD1 TYR A 32 3.124 -3.097 8.015 1.00 1.09 H new ATOM 0 HD2 TYR A 32 2.179 -2.361 3.926 1.00 0.98 H new ATOM 0 HE1 TYR A 32 5.477 -2.549 7.567 1.00 1.20 H new ATOM 0 HE2 TYR A 32 4.537 -1.819 3.482 1.00 1.03 H new ATOM 0 HH TYR A 32 6.613 -1.786 4.273 1.00 0.96 H new ATOM 188 N THR A 33 -0.801 -4.980 8.178 1.00 0.48 N ATOM 189 CA THR A 33 -2.093 -5.278 8.774 1.00 0.57 C ATOM 190 C THR A 33 -2.911 -4.004 8.919 1.00 0.56 C ATOM 191 O THR A 33 -2.350 -2.904 8.891 1.00 0.60 O ATOM 192 CB THR A 33 -1.943 -5.961 10.150 1.00 0.72 C ATOM 193 OG1 THR A 33 -1.122 -5.163 11.010 1.00 0.77 O ATOM 194 CG2 THR A 33 -1.333 -7.347 10.002 1.00 0.82 C ATOM 0 H THR A 33 -0.022 -4.935 8.835 1.00 0.48 H new ATOM 0 HA THR A 33 -2.610 -5.970 8.109 1.00 0.57 H new ATOM 0 HB THR A 33 -2.935 -6.062 10.589 1.00 0.72 H new ATOM 0 HG1 THR A 33 -0.216 -5.110 10.640 1.00 0.77 H new ATOM 0 HG21 THR A 33 -1.237 -7.809 10.985 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.976 -7.962 9.373 1.00 0.82 H new ATOM 0 HG23 THR A 33 -0.348 -7.264 9.542 1.00 0.82 H new ATOM 202 N LEU A 34 -4.225 -4.138 9.044 1.00 0.60 N ATOM 203 CA LEU A 34 -5.069 -2.978 9.324 1.00 0.64 C ATOM 204 C LEU A 34 -4.566 -2.287 10.578 1.00 0.58 C ATOM 205 O LEU A 34 -4.398 -1.071 10.611 1.00 0.59 O ATOM 206 CB LEU A 34 -6.536 -3.400 9.530 1.00 0.86 C ATOM 207 CG LEU A 34 -7.512 -2.257 9.853 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.681 -1.343 8.652 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.855 -2.823 10.288 1.00 1.46 C ATOM 0 H LEU A 34 -4.726 -5.022 8.958 1.00 0.60 H new ATOM 0 HA LEU A 34 -5.021 -2.299 8.472 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.881 -3.906 8.628 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.576 -4.129 10.339 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.100 -1.668 10.672 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.375 -0.540 8.900 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.715 -0.916 8.381 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -8.074 -1.915 7.812 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.539 -2.005 10.514 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -9.271 -3.432 9.485 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.720 -3.439 11.177 1.00 1.46 H new ATOM 221 N GLU A 35 -4.263 -3.099 11.578 1.00 0.65 N ATOM 222 CA GLU A 35 -3.921 -2.639 12.916 1.00 0.77 C ATOM 223 C GLU A 35 -2.772 -1.627 12.908 1.00 0.73 C ATOM 224 O GLU A 35 -2.844 -0.579 13.549 1.00 0.88 O ATOM 225 CB GLU A 35 -3.573 -3.854 13.776 1.00 0.94 C ATOM 226 CG GLU A 35 -3.411 -3.545 15.251 1.00 1.41 C ATOM 227 CD GLU A 35 -1.978 -3.670 15.727 1.00 1.91 C ATOM 228 OE1 GLU A 35 -1.203 -2.718 15.521 1.00 2.56 O ATOM 229 OE2 GLU A 35 -1.615 -4.728 16.276 1.00 2.34 O ATOM 0 H GLU A 35 -4.247 -4.114 11.482 1.00 0.65 H new ATOM 0 HA GLU A 35 -4.782 -2.118 13.335 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -4.354 -4.605 13.657 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -2.648 -4.295 13.405 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.766 -2.533 15.446 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -4.041 -4.221 15.830 1.00 1.41 H new ATOM 236 N GLU A 36 -1.720 -1.946 12.160 1.00 0.63 N ATOM 237 CA GLU A 36 -0.491 -1.167 12.197 1.00 0.74 C ATOM 238 C GLU A 36 -0.595 0.072 11.307 1.00 0.67 C ATOM 239 O GLU A 36 0.146 1.042 11.475 1.00 0.82 O ATOM 240 CB GLU A 36 0.689 -2.052 11.790 1.00 0.85 C ATOM 241 CG GLU A 36 0.640 -2.535 10.353 1.00 0.95 C ATOM 242 CD GLU A 36 1.689 -3.585 10.066 1.00 1.24 C ATOM 243 OE1 GLU A 36 2.891 -3.287 10.229 1.00 1.76 O ATOM 244 OE2 GLU A 36 1.319 -4.711 9.682 1.00 1.67 O ATOM 0 H GLU A 36 -1.696 -2.740 11.521 1.00 0.63 H new ATOM 0 HA GLU A 36 -0.326 -0.814 13.215 1.00 0.74 H new ATOM 0 HB2 GLU A 36 1.614 -1.497 11.943 1.00 0.85 H new ATOM 0 HB3 GLU A 36 0.724 -2.918 12.451 1.00 0.85 H new ATOM 0 HG2 GLU A 36 -0.348 -2.944 10.143 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.783 -1.688 9.682 1.00 0.95 H new ATOM 251 N ILE A 37 -1.527 0.016 10.356 1.00 0.52 N ATOM 252 CA ILE A 37 -1.811 1.137 9.464 1.00 0.50 C ATOM 253 C ILE A 37 -2.830 2.065 10.120 1.00 0.53 C ATOM 254 O ILE A 37 -2.824 3.277 9.904 1.00 0.72 O ATOM 255 CB ILE A 37 -2.351 0.642 8.100 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.318 -0.260 7.411 1.00 0.51 C ATOM 257 CG2 ILE A 37 -2.706 1.824 7.209 1.00 0.54 C ATOM 258 CD1 ILE A 37 -1.820 -0.917 6.141 1.00 0.72 C ATOM 0 H ILE A 37 -2.105 -0.807 10.183 1.00 0.52 H new ATOM 0 HA ILE A 37 -0.882 1.679 9.284 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.255 0.059 8.276 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.434 0.332 7.176 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.005 -1.036 8.110 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.084 1.459 6.254 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.471 2.429 7.695 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -1.817 2.431 7.039 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.031 -1.537 5.716 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -2.686 -1.538 6.370 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.105 -0.149 5.422 1.00 0.72 H new ATOM 270 N GLN A 38 -3.688 1.475 10.940 1.00 0.48 N ATOM 271 CA GLN A 38 -4.644 2.219 11.748 1.00 0.52 C ATOM 272 C GLN A 38 -3.897 3.051 12.783 1.00 0.54 C ATOM 273 O GLN A 38 -4.410 4.028 13.317 1.00 0.64 O ATOM 274 CB GLN A 38 -5.586 1.237 12.458 1.00 0.56 C ATOM 275 CG GLN A 38 -6.789 1.893 13.122 1.00 0.78 C ATOM 276 CD GLN A 38 -7.733 2.524 12.116 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.688 1.894 11.666 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.468 3.768 11.750 1.00 0.74 N ATOM 0 H GLN A 38 -3.741 0.464 11.064 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.227 2.880 11.106 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -5.940 0.503 11.734 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.021 0.691 13.214 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -7.330 1.148 13.705 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -6.444 2.656 13.820 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.665 4.256 12.147 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.066 4.238 11.071 1.00 0.74 H new ATOM 287 N LYS A 39 -2.671 2.626 13.052 1.00 0.54 N ATOM 288 CA LYS A 39 -1.856 3.196 14.104 1.00 0.62 C ATOM 289 C LYS A 39 -0.894 4.229 13.524 1.00 0.58 C ATOM 290 O LYS A 39 -0.148 4.888 14.245 1.00 0.66 O ATOM 291 CB LYS A 39 -1.096 2.056 14.771 1.00 0.77 C ATOM 292 CG LYS A 39 -0.653 2.343 16.192 1.00 1.28 C ATOM 293 CD LYS A 39 -0.401 1.044 16.944 1.00 1.57 C ATOM 294 CE LYS A 39 -1.671 0.198 17.028 1.00 2.08 C ATOM 295 NZ LYS A 39 -1.426 -1.130 17.649 1.00 2.52 N ATOM 0 H LYS A 39 -2.215 1.871 12.540 1.00 0.54 H new ATOM 0 HA LYS A 39 -2.478 3.707 14.839 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -1.727 1.167 14.773 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -0.217 1.821 14.170 1.00 0.77 H new ATOM 0 HG2 LYS A 39 0.255 2.946 16.181 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -1.417 2.926 16.707 1.00 1.28 H new ATOM 0 HD2 LYS A 39 0.384 0.477 16.443 1.00 1.57 H new ATOM 0 HD3 LYS A 39 -0.042 1.266 17.949 1.00 1.57 H new ATOM 0 HE2 LYS A 39 -2.424 0.734 17.607 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -2.078 0.058 16.027 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 -2.330 -1.539 17.962 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 -0.983 -1.762 16.952 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 -0.794 -1.019 18.467 1.00 2.52 H new ATOM 309 N HIS A 40 -0.903 4.330 12.201 1.00 0.53 N ATOM 310 CA HIS A 40 -0.068 5.290 11.488 1.00 0.56 C ATOM 311 C HIS A 40 -0.941 6.370 10.853 1.00 0.65 C ATOM 312 O HIS A 40 -0.686 6.825 9.747 1.00 0.93 O ATOM 313 CB HIS A 40 0.788 4.575 10.427 1.00 0.56 C ATOM 314 CG HIS A 40 1.985 3.855 10.991 1.00 0.93 C ATOM 315 ND1 HIS A 40 2.413 2.618 10.548 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.867 4.227 11.944 1.00 1.39 C ATOM 317 CE1 HIS A 40 3.506 2.269 11.204 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.805 3.228 12.056 1.00 1.80 N ATOM 0 H HIS A 40 -1.485 3.753 11.594 1.00 0.53 H new ATOM 0 HA HIS A 40 0.608 5.768 12.197 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.164 3.858 9.893 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.129 5.308 9.695 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.956 2.060 9.826 1.00 1.08 H new ATOM 0 HD2 HIS A 40 2.840 5.143 12.515 1.00 1.39 H new ATOM 0 HE1 HIS A 40 4.060 1.353 11.065 1.00 1.59 H new ATOM 327 N ASN A 41 -1.982 6.750 11.581 1.00 0.56 N ATOM 328 CA ASN A 41 -3.006 7.685 11.110 1.00 0.64 C ATOM 329 C ASN A 41 -2.810 9.059 11.742 1.00 0.82 C ATOM 330 O ASN A 41 -3.748 9.850 11.844 1.00 1.20 O ATOM 331 CB ASN A 41 -4.380 7.144 11.518 1.00 0.69 C ATOM 332 CG ASN A 41 -4.575 7.138 13.033 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.618 6.993 13.800 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.813 7.294 13.481 1.00 1.74 N ATOM 0 H ASN A 41 -2.145 6.415 12.530 1.00 0.56 H new ATOM 0 HA ASN A 41 -2.931 7.783 10.027 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.159 7.751 11.056 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.497 6.130 11.135 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -5.996 7.296 14.485 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.583 7.412 12.822 1.00 1.74 H new ATOM 341 N HIS A 42 -1.584 9.330 12.171 1.00 0.73 N ATOM 342 CA HIS A 42 -1.313 10.478 13.030 1.00 0.97 C ATOM 343 C HIS A 42 -0.076 11.257 12.569 1.00 1.06 C ATOM 344 O HIS A 42 0.484 10.973 11.517 1.00 1.54 O ATOM 345 CB HIS A 42 -1.151 10.013 14.489 1.00 1.05 C ATOM 346 CG HIS A 42 -0.123 8.932 14.700 1.00 0.90 C ATOM 347 ND1 HIS A 42 0.995 8.776 13.902 1.00 0.81 N ATOM 348 CD2 HIS A 42 -0.044 7.959 15.641 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.714 7.761 14.344 1.00 0.87 C ATOM 350 NE2 HIS A 42 1.106 7.248 15.396 1.00 1.08 N ATOM 0 H HIS A 42 -0.762 8.772 11.939 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.163 11.157 12.962 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.883 10.874 15.102 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -2.115 9.653 14.849 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -0.753 7.777 16.435 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.642 7.410 13.917 1.00 0.87 H new ATOM 0 HE2 HIS A 42 1.436 6.451 15.940 1.00 1.08 H new ATOM 359 N SER A 43 0.360 12.190 13.413 1.00 1.01 N ATOM 360 CA SER A 43 1.434 13.141 13.097 1.00 1.12 C ATOM 361 C SER A 43 2.738 12.458 12.640 1.00 0.97 C ATOM 362 O SER A 43 3.210 12.671 11.526 1.00 1.05 O ATOM 363 CB SER A 43 1.679 14.008 14.334 1.00 1.34 C ATOM 364 OG SER A 43 1.885 13.199 15.483 1.00 2.00 O ATOM 0 H SER A 43 -0.025 12.312 14.350 1.00 1.01 H new ATOM 0 HA SER A 43 1.114 13.750 12.252 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.549 14.645 14.171 1.00 1.34 H new ATOM 0 HB3 SER A 43 0.827 14.668 14.496 1.00 1.34 H new ATOM 0 HG SER A 43 2.042 13.772 16.263 1.00 2.00 H new ATOM 370 N LYS A 44 3.311 11.649 13.550 1.00 0.89 N ATOM 371 CA LYS A 44 4.634 11.019 13.378 1.00 0.89 C ATOM 372 C LYS A 44 4.768 10.262 12.071 1.00 0.77 C ATOM 373 O LYS A 44 5.877 10.099 11.566 1.00 0.94 O ATOM 374 CB LYS A 44 4.931 10.054 14.530 1.00 1.01 C ATOM 375 CG LYS A 44 5.779 10.659 15.636 1.00 1.53 C ATOM 376 CD LYS A 44 5.050 11.773 16.361 1.00 2.16 C ATOM 377 CE LYS A 44 5.931 12.402 17.426 1.00 2.63 C ATOM 378 NZ LYS A 44 5.179 13.345 18.291 1.00 3.26 N ATOM 0 H LYS A 44 2.864 11.411 14.435 1.00 0.89 H new ATOM 0 HA LYS A 44 5.352 11.839 13.370 1.00 0.89 H new ATOM 0 HB2 LYS A 44 3.988 9.710 14.955 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.441 9.176 14.133 1.00 1.01 H new ATOM 0 HG2 LYS A 44 6.055 9.882 16.349 1.00 1.53 H new ATOM 0 HG3 LYS A 44 6.706 11.047 15.212 1.00 1.53 H new ATOM 0 HD2 LYS A 44 4.740 12.534 15.645 1.00 2.16 H new ATOM 0 HD3 LYS A 44 4.143 11.379 16.821 1.00 2.16 H new ATOM 0 HE2 LYS A 44 6.369 11.617 18.042 1.00 2.63 H new ATOM 0 HE3 LYS A 44 6.756 12.930 16.947 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 5.820 13.750 19.003 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 4.782 14.109 17.708 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 4.407 12.837 18.769 1.00 3.26 H new ATOM 392 N SER A 45 3.649 9.781 11.555 1.00 0.63 N ATOM 393 CA SER A 45 3.623 9.072 10.288 1.00 0.62 C ATOM 394 C SER A 45 2.183 8.925 9.821 1.00 0.65 C ATOM 395 O SER A 45 1.311 8.572 10.620 1.00 1.05 O ATOM 396 CB SER A 45 4.302 7.700 10.405 1.00 0.65 C ATOM 397 OG SER A 45 4.336 7.024 9.162 1.00 1.31 O ATOM 0 H SER A 45 2.736 9.871 12.001 1.00 0.63 H new ATOM 0 HA SER A 45 4.182 9.649 9.551 1.00 0.62 H new ATOM 0 HB2 SER A 45 5.318 7.828 10.777 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.769 7.091 11.136 1.00 0.65 H new ATOM 0 HG SER A 45 4.776 6.156 9.274 1.00 1.31 H new ATOM 403 N THR A 46 1.931 9.182 8.547 1.00 0.43 N ATOM 404 CA THR A 46 0.580 9.113 8.020 1.00 0.42 C ATOM 405 C THR A 46 0.480 8.110 6.869 1.00 0.39 C ATOM 406 O THR A 46 0.995 8.348 5.774 1.00 0.47 O ATOM 407 CB THR A 46 0.107 10.495 7.535 1.00 0.51 C ATOM 408 OG1 THR A 46 0.340 11.479 8.555 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.374 10.468 7.183 1.00 0.64 C ATOM 0 H THR A 46 2.642 9.439 7.862 1.00 0.43 H new ATOM 0 HA THR A 46 -0.064 8.778 8.833 1.00 0.42 H new ATOM 0 HB THR A 46 0.674 10.755 6.641 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.368 11.041 9.431 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.685 11.456 6.843 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.546 9.740 6.390 1.00 0.64 H new ATOM 0 HG23 THR A 46 -1.952 10.189 8.064 1.00 0.64 H new ATOM 417 N TRP A 47 -0.171 6.986 7.134 1.00 0.37 N ATOM 418 CA TRP A 47 -0.450 5.997 6.107 1.00 0.36 C ATOM 419 C TRP A 47 -1.937 5.961 5.824 1.00 0.37 C ATOM 420 O TRP A 47 -2.749 6.040 6.744 1.00 0.50 O ATOM 421 CB TRP A 47 -0.004 4.588 6.515 1.00 0.37 C ATOM 422 CG TRP A 47 1.476 4.407 6.623 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.437 5.335 6.360 1.00 0.38 C ATOM 424 CD2 TRP A 47 2.164 3.217 7.018 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.679 4.800 6.572 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.541 3.500 6.974 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.752 1.936 7.401 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.507 2.559 7.310 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.712 0.999 7.734 1.00 0.45 C ATOM 430 CH2 TRP A 47 4.077 1.313 7.685 1.00 0.47 C ATOM 0 H TRP A 47 -0.518 6.737 8.060 1.00 0.37 H new ATOM 0 HA TRP A 47 0.112 6.292 5.221 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.457 4.342 7.475 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.391 3.874 5.788 1.00 0.37 H new ATOM 0 HD1 TRP A 47 2.247 6.346 6.032 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.564 5.291 6.450 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.702 1.684 7.436 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.559 2.801 7.277 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 2.405 0.009 8.037 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.804 0.559 7.948 1.00 0.47 H new ATOM 441 N LEU A 48 -2.301 5.826 4.571 1.00 0.31 N ATOM 442 CA LEU A 48 -3.700 5.695 4.216 1.00 0.31 C ATOM 443 C LEU A 48 -3.890 4.513 3.286 1.00 0.28 C ATOM 444 O LEU A 48 -2.931 3.822 2.944 1.00 0.29 O ATOM 445 CB LEU A 48 -4.240 6.966 3.554 1.00 0.37 C ATOM 446 CG LEU A 48 -3.671 7.272 2.165 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.584 8.224 1.418 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.277 7.868 2.271 1.00 0.55 C ATOM 0 H LEU A 48 -1.655 5.804 3.782 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.260 5.533 5.137 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.324 6.882 3.474 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.033 7.813 4.208 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.606 6.335 1.612 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.166 8.432 0.433 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.569 7.771 1.306 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -4.675 9.155 1.977 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -1.894 8.077 1.272 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.320 8.794 2.844 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -1.616 7.161 2.773 1.00 0.55 H new ATOM 460 N ILE A 49 -5.125 4.271 2.894 1.00 0.34 N ATOM 461 CA ILE A 49 -5.430 3.245 1.919 1.00 0.36 C ATOM 462 C ILE A 49 -6.472 3.809 0.951 1.00 0.42 C ATOM 463 O ILE A 49 -7.251 4.685 1.328 1.00 0.65 O ATOM 464 CB ILE A 49 -5.968 1.968 2.606 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.152 1.647 3.865 1.00 0.38 C ATOM 466 CG2 ILE A 49 -5.931 0.784 1.653 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.679 0.463 4.643 1.00 0.46 C ATOM 0 H ILE A 49 -5.940 4.777 3.240 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.523 2.966 1.382 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.003 2.154 2.893 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.119 1.452 3.578 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.142 2.522 4.514 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.314 -0.102 2.159 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -6.548 0.999 0.781 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -4.904 0.605 1.335 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.053 0.295 5.519 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.702 0.663 4.961 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -5.663 -0.424 4.010 1.00 0.46 H new ATOM 479 N LEU A 50 -6.468 3.364 -0.295 1.00 0.41 N ATOM 480 CA LEU A 50 -7.410 3.905 -1.280 1.00 0.53 C ATOM 481 C LEU A 50 -8.069 2.814 -2.105 1.00 0.78 C ATOM 482 O LEU A 50 -9.016 3.074 -2.845 1.00 1.77 O ATOM 483 CB LEU A 50 -6.702 4.893 -2.205 1.00 0.49 C ATOM 484 CG LEU A 50 -6.543 6.303 -1.640 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.788 7.188 -2.619 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.908 6.899 -1.319 1.00 0.99 C ATOM 0 H LEU A 50 -5.839 2.644 -0.650 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.194 4.419 -0.723 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.714 4.500 -2.445 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.257 4.953 -3.141 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.965 6.246 -0.718 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.684 8.189 -2.199 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.799 6.767 -2.802 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.338 7.244 -3.558 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.781 7.904 -0.917 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.508 6.945 -2.228 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.413 6.275 -0.582 1.00 0.99 H new ATOM 498 N HIS A 51 -7.549 1.606 -1.987 1.00 0.67 N ATOM 499 CA HIS A 51 -8.044 0.455 -2.731 1.00 0.73 C ATOM 500 C HIS A 51 -7.249 -0.783 -2.340 1.00 0.82 C ATOM 501 O HIS A 51 -6.621 -1.416 -3.195 1.00 1.80 O ATOM 502 CB HIS A 51 -7.993 0.681 -4.260 1.00 0.79 C ATOM 503 CG HIS A 51 -6.693 1.208 -4.795 1.00 1.23 C ATOM 504 ND1 HIS A 51 -5.785 0.437 -5.489 1.00 1.87 N ATOM 505 CD2 HIS A 51 -6.170 2.453 -4.756 1.00 1.56 C ATOM 506 CE1 HIS A 51 -4.760 1.186 -5.846 1.00 2.45 C ATOM 507 NE2 HIS A 51 -4.966 2.415 -5.412 1.00 2.30 N ATOM 0 H HIS A 51 -6.766 1.391 -1.369 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.093 0.311 -2.472 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -8.213 -0.264 -4.756 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -8.786 1.377 -4.533 1.00 0.79 H new ATOM 0 HD1 HIS A 51 -5.890 -0.557 -5.694 1.00 1.87 H new ATOM 0 HD2 HIS A 51 -6.618 3.320 -4.293 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -3.896 0.850 -6.401 1.00 2.45 H new ATOM 516 N HIS A 52 -7.240 -1.087 -1.037 1.00 0.46 N ATOM 517 CA HIS A 52 -6.533 -2.261 -0.481 1.00 0.42 C ATOM 518 C HIS A 52 -5.013 -2.051 -0.426 1.00 0.43 C ATOM 519 O HIS A 52 -4.307 -2.750 0.300 1.00 0.81 O ATOM 520 CB HIS A 52 -6.845 -3.529 -1.287 1.00 0.58 C ATOM 521 CG HIS A 52 -8.307 -3.841 -1.393 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.874 -4.379 -2.528 1.00 1.75 N ATOM 523 CD2 HIS A 52 -9.319 -3.672 -0.509 1.00 1.81 C ATOM 524 CE1 HIS A 52 -10.174 -4.524 -2.342 1.00 2.34 C ATOM 525 NE2 HIS A 52 -10.470 -4.106 -1.124 1.00 2.36 N ATOM 0 H HIS A 52 -7.722 -0.529 -0.332 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.897 -2.384 0.539 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.434 -3.419 -2.291 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -6.336 -4.375 -0.825 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -9.237 -3.272 0.491 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -10.875 -4.917 -3.063 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -11.401 -4.105 -0.707 1.00 2.36 H new ATOM 534 N LYS A 53 -4.502 -1.108 -1.207 1.00 0.33 N ATOM 535 CA LYS A 53 -3.076 -0.819 -1.208 1.00 0.36 C ATOM 536 C LYS A 53 -2.776 0.339 -0.269 1.00 0.29 C ATOM 537 O LYS A 53 -3.410 1.392 -0.369 1.00 0.32 O ATOM 538 CB LYS A 53 -2.572 -0.502 -2.621 1.00 0.45 C ATOM 539 CG LYS A 53 -2.820 -1.618 -3.620 1.00 0.66 C ATOM 540 CD LYS A 53 -2.230 -1.303 -4.983 1.00 0.95 C ATOM 541 CE LYS A 53 -0.841 -1.902 -5.132 1.00 1.25 C ATOM 542 NZ LYS A 53 -0.883 -3.385 -5.215 1.00 1.76 N ATOM 0 H LYS A 53 -5.052 -0.533 -1.845 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.551 -1.708 -0.858 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.059 0.407 -2.976 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.503 -0.295 -2.578 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -2.387 -2.545 -3.243 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -3.893 -1.784 -3.719 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -2.883 -1.693 -5.764 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -2.180 -0.223 -5.120 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -0.367 -1.502 -6.028 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -0.224 -1.603 -4.285 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -0.135 -3.788 -4.615 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -1.810 -3.725 -4.887 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -0.734 -3.682 -6.201 1.00 1.76 H new ATOM 556 N VAL A 54 -1.815 0.152 0.624 1.00 0.27 N ATOM 557 CA VAL A 54 -1.465 1.176 1.604 1.00 0.25 C ATOM 558 C VAL A 54 -0.516 2.202 0.991 1.00 0.23 C ATOM 559 O VAL A 54 0.395 1.855 0.232 1.00 0.25 O ATOM 560 CB VAL A 54 -0.826 0.560 2.879 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.385 -0.283 2.529 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.450 1.641 3.889 1.00 0.32 C ATOM 0 H VAL A 54 -1.261 -0.702 0.692 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.390 1.672 1.898 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.573 -0.087 3.339 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.812 -0.702 3.440 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.085 -1.092 1.864 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.129 0.339 2.031 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.005 1.177 4.770 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.268 2.326 3.438 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.344 2.192 4.181 1.00 0.32 H new ATOM 572 N TYR A 55 -0.748 3.465 1.304 1.00 0.23 N ATOM 573 CA TYR A 55 0.096 4.547 0.822 1.00 0.25 C ATOM 574 C TYR A 55 0.752 5.266 1.992 1.00 0.27 C ATOM 575 O TYR A 55 0.279 5.172 3.124 1.00 0.35 O ATOM 576 CB TYR A 55 -0.715 5.575 0.024 1.00 0.27 C ATOM 577 CG TYR A 55 -1.276 5.109 -1.307 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.238 4.109 -1.389 1.00 0.74 C ATOM 579 CD2 TYR A 55 -0.866 5.716 -2.484 1.00 0.83 C ATOM 580 CE1 TYR A 55 -2.764 3.723 -2.610 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.391 5.345 -3.703 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.339 4.348 -3.764 1.00 0.42 C ATOM 583 OH TYR A 55 -2.855 3.974 -4.988 1.00 0.49 O ATOM 0 H TYR A 55 -1.521 3.769 1.895 1.00 0.23 H new ATOM 0 HA TYR A 55 0.852 4.102 0.175 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.545 5.911 0.645 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.081 6.443 -0.158 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.580 3.626 -0.486 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.120 6.496 -2.445 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.503 2.937 -2.659 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.060 5.834 -4.607 1.00 0.85 H new ATOM 0 HH TYR A 55 -3.719 3.531 -4.857 1.00 0.49 H new ATOM 593 N ASP A 56 1.823 5.993 1.709 1.00 0.34 N ATOM 594 CA ASP A 56 2.453 6.867 2.695 1.00 0.38 C ATOM 595 C ASP A 56 2.355 8.323 2.228 1.00 0.38 C ATOM 596 O ASP A 56 2.318 8.584 1.024 1.00 0.48 O ATOM 597 CB ASP A 56 3.926 6.469 2.915 1.00 0.47 C ATOM 598 CG ASP A 56 4.648 7.335 3.941 1.00 0.63 C ATOM 599 OD1 ASP A 56 5.109 8.442 3.583 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.777 6.904 5.105 1.00 1.32 O ATOM 0 H ASP A 56 2.279 5.996 0.797 1.00 0.34 H new ATOM 0 HA ASP A 56 1.930 6.761 3.646 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.968 5.429 3.237 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.456 6.530 1.964 1.00 0.47 H new ATOM 605 N LEU A 57 2.266 9.263 3.163 1.00 0.37 N ATOM 606 CA LEU A 57 2.301 10.683 2.809 1.00 0.39 C ATOM 607 C LEU A 57 3.503 11.353 3.452 1.00 0.51 C ATOM 608 O LEU A 57 4.417 11.805 2.762 1.00 1.12 O ATOM 609 CB LEU A 57 1.030 11.417 3.252 1.00 0.45 C ATOM 610 CG LEU A 57 -0.283 10.776 2.814 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.455 11.381 3.569 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.486 10.950 1.321 1.00 1.27 C ATOM 0 H LEU A 57 2.170 9.074 4.161 1.00 0.37 H new ATOM 0 HA LEU A 57 2.371 10.740 1.723 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.034 11.490 4.340 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.065 12.435 2.864 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.233 9.711 3.043 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.381 10.909 3.241 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -1.323 11.217 4.638 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.503 12.452 3.370 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.427 10.487 1.025 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.512 12.012 1.079 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.336 10.476 0.784 1.00 1.27 H new ATOM 624 N THR A 58 3.471 11.384 4.790 1.00 0.54 N ATOM 625 CA THR A 58 4.490 12.010 5.639 1.00 0.56 C ATOM 626 C THR A 58 4.863 13.424 5.190 1.00 0.66 C ATOM 627 O THR A 58 4.344 14.401 5.723 1.00 1.15 O ATOM 628 CB THR A 58 5.762 11.131 5.784 1.00 0.65 C ATOM 629 OG1 THR A 58 6.235 10.693 4.499 1.00 1.43 O ATOM 630 CG2 THR A 58 5.487 9.917 6.666 1.00 1.12 C ATOM 0 H THR A 58 2.713 10.962 5.326 1.00 0.54 H new ATOM 0 HA THR A 58 4.026 12.096 6.621 1.00 0.56 H new ATOM 0 HB THR A 58 6.531 11.744 6.253 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.883 9.799 4.308 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.393 9.317 6.752 1.00 1.12 H new ATOM 0 HG22 THR A 58 5.176 10.250 7.656 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.695 9.316 6.220 1.00 1.12 H new ATOM 638 N LYS A 59 5.752 13.534 4.220 1.00 0.57 N ATOM 639 CA LYS A 59 6.149 14.834 3.702 1.00 0.58 C ATOM 640 C LYS A 59 5.040 15.413 2.832 1.00 0.48 C ATOM 641 O LYS A 59 4.873 16.626 2.706 1.00 0.54 O ATOM 642 CB LYS A 59 7.455 14.720 2.911 1.00 0.69 C ATOM 643 CG LYS A 59 7.413 13.743 1.744 1.00 1.37 C ATOM 644 CD LYS A 59 8.773 13.652 1.074 1.00 1.96 C ATOM 645 CE LYS A 59 8.785 12.648 -0.064 1.00 2.58 C ATOM 646 NZ LYS A 59 10.146 12.503 -0.645 1.00 3.59 N ATOM 0 H LYS A 59 6.213 12.741 3.774 1.00 0.57 H new ATOM 0 HA LYS A 59 6.318 15.509 4.541 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.720 15.707 2.531 1.00 0.69 H new ATOM 0 HB3 LYS A 59 8.250 14.416 3.592 1.00 0.69 H new ATOM 0 HG2 LYS A 59 7.109 12.758 2.098 1.00 1.37 H new ATOM 0 HG3 LYS A 59 6.665 14.066 1.019 1.00 1.37 H new ATOM 0 HD2 LYS A 59 9.055 14.634 0.693 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.522 13.370 1.813 1.00 1.96 H new ATOM 0 HE2 LYS A 59 8.438 11.681 0.299 1.00 2.58 H new ATOM 0 HE3 LYS A 59 8.089 12.967 -0.840 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 10.121 11.810 -1.420 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 10.466 13.422 -1.012 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 10.804 12.176 0.091 1.00 3.59 H new ATOM 660 N PHE A 60 4.284 14.486 2.229 1.00 0.40 N ATOM 661 CA PHE A 60 3.341 14.800 1.154 1.00 0.35 C ATOM 662 C PHE A 60 2.236 15.726 1.637 1.00 0.36 C ATOM 663 O PHE A 60 1.583 16.391 0.822 1.00 0.40 O ATOM 664 CB PHE A 60 2.739 13.501 0.588 1.00 0.37 C ATOM 665 CG PHE A 60 2.053 13.678 -0.736 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.761 14.125 -1.846 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.706 13.392 -0.881 1.00 1.62 C ATOM 668 CE1 PHE A 60 2.135 14.283 -3.068 1.00 1.72 C ATOM 669 CE2 PHE A 60 0.077 13.547 -2.103 1.00 2.01 C ATOM 670 CZ PHE A 60 0.792 13.992 -3.198 1.00 1.72 C ATOM 0 H PHE A 60 4.311 13.497 2.475 1.00 0.40 H new ATOM 0 HA PHE A 60 3.887 15.318 0.365 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.532 12.761 0.480 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.024 13.100 1.306 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.813 14.351 -1.752 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.140 13.044 -0.030 1.00 1.62 H new ATOM 0 HE1 PHE A 60 2.697 14.634 -3.921 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -0.974 13.320 -2.201 1.00 2.01 H new ATOM 0 HZ PHE A 60 0.302 14.112 -4.153 1.00 1.72 H new ATOM 680 N LEU A 61 2.061 15.741 2.958 1.00 0.38 N ATOM 681 CA LEU A 61 0.953 16.398 3.662 1.00 0.44 C ATOM 682 C LEU A 61 0.776 17.855 3.254 1.00 0.47 C ATOM 683 O LEU A 61 -0.328 18.397 3.299 1.00 0.60 O ATOM 684 CB LEU A 61 1.229 16.338 5.170 1.00 0.50 C ATOM 685 CG LEU A 61 1.322 14.940 5.789 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.575 15.067 7.280 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.051 14.142 5.533 1.00 0.61 C ATOM 0 H LEU A 61 2.711 15.279 3.594 1.00 0.38 H new ATOM 0 HA LEU A 61 0.036 15.872 3.398 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.164 16.862 5.368 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.441 16.888 5.684 1.00 0.50 H new ATOM 0 HG LEU A 61 2.149 14.404 5.323 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.642 14.074 7.724 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.510 15.602 7.446 1.00 0.72 H new ATOM 0 HD13 LEU A 61 0.755 15.617 7.743 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.145 13.154 5.983 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.800 14.662 5.973 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.103 14.038 4.459 1.00 0.61 H new ATOM 699 N GLU A 62 1.898 18.470 2.894 1.00 0.46 N ATOM 700 CA GLU A 62 1.978 19.899 2.615 1.00 0.55 C ATOM 701 C GLU A 62 1.825 20.181 1.122 1.00 0.53 C ATOM 702 O GLU A 62 1.528 21.302 0.709 1.00 0.72 O ATOM 703 CB GLU A 62 3.346 20.398 3.075 1.00 0.68 C ATOM 704 CG GLU A 62 3.762 19.838 4.423 1.00 0.99 C ATOM 705 CD GLU A 62 5.127 20.323 4.866 1.00 1.22 C ATOM 706 OE1 GLU A 62 5.299 21.553 5.028 1.00 1.60 O ATOM 707 OE2 GLU A 62 6.025 19.479 5.075 1.00 1.62 O ATOM 0 H GLU A 62 2.788 17.984 2.787 1.00 0.46 H new ATOM 0 HA GLU A 62 1.172 20.409 3.143 1.00 0.55 H new ATOM 0 HB2 GLU A 62 4.094 20.128 2.330 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.329 21.486 3.130 1.00 0.68 H new ATOM 0 HG2 GLU A 62 3.021 20.119 5.172 1.00 0.99 H new ATOM 0 HG3 GLU A 62 3.767 18.749 4.373 1.00 0.99 H new ATOM 714 N GLU A 63 2.046 19.140 0.328 1.00 0.42 N ATOM 715 CA GLU A 63 2.235 19.273 -1.117 1.00 0.48 C ATOM 716 C GLU A 63 0.970 18.907 -1.886 1.00 0.46 C ATOM 717 O GLU A 63 0.864 19.171 -3.087 1.00 0.66 O ATOM 718 CB GLU A 63 3.372 18.353 -1.557 1.00 0.59 C ATOM 719 CG GLU A 63 4.737 18.769 -1.035 1.00 1.05 C ATOM 720 CD GLU A 63 5.314 19.941 -1.801 1.00 1.31 C ATOM 721 OE1 GLU A 63 4.763 21.058 -1.681 1.00 2.03 O ATOM 722 OE2 GLU A 63 6.331 19.766 -2.504 1.00 1.83 O ATOM 0 H GLU A 63 2.100 18.179 0.665 1.00 0.42 H new ATOM 0 HA GLU A 63 2.474 20.314 -1.335 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.158 17.339 -1.218 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.403 18.325 -2.646 1.00 0.59 H new ATOM 0 HG2 GLU A 63 4.655 19.032 0.020 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.421 17.923 -1.100 1.00 1.05 H new ATOM 729 N HIS A 64 0.046 18.253 -1.186 1.00 0.33 N ATOM 730 CA HIS A 64 -1.217 17.818 -1.769 1.00 0.32 C ATOM 731 C HIS A 64 -2.255 18.946 -1.738 1.00 0.42 C ATOM 732 O HIS A 64 -2.553 19.491 -0.672 1.00 0.52 O ATOM 733 CB HIS A 64 -1.722 16.580 -1.023 1.00 0.38 C ATOM 734 CG HIS A 64 -3.079 16.019 -1.400 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.237 16.290 -0.705 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.401 15.144 -2.417 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.240 15.597 -1.277 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.763 14.897 -2.313 1.00 0.36 N ATOM 0 H HIS A 64 0.153 18.011 -0.201 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.055 17.558 -2.815 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.986 15.788 -1.157 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.744 16.818 0.040 1.00 0.38 H new ATOM 0 HD1 HIS A 64 -4.320 16.908 0.102 1.00 0.44 H new ATOM 0 HD2 HIS A 64 -2.725 14.731 -3.151 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.269 15.605 -0.950 1.00 0.43 H new ATOM 746 N PRO A 65 -2.803 19.307 -2.925 1.00 0.51 N ATOM 747 CA PRO A 65 -3.776 20.411 -3.074 1.00 0.73 C ATOM 748 C PRO A 65 -5.048 20.217 -2.247 1.00 0.90 C ATOM 749 O PRO A 65 -5.689 21.181 -1.829 1.00 1.46 O ATOM 750 CB PRO A 65 -4.125 20.391 -4.569 1.00 0.96 C ATOM 751 CG PRO A 65 -3.672 19.063 -5.072 1.00 0.81 C ATOM 752 CD PRO A 65 -2.501 18.677 -4.221 1.00 0.55 C ATOM 0 HA PRO A 65 -3.351 21.351 -2.722 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.196 20.523 -4.723 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -3.625 21.202 -5.099 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.470 18.324 -4.996 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -3.389 19.120 -6.123 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.409 17.595 -4.131 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.563 19.043 -4.638 1.00 0.55 H new ATOM 760 N GLY A 66 -5.403 18.949 -2.039 1.00 1.08 N ATOM 761 CA GLY A 66 -6.697 18.585 -1.478 1.00 1.38 C ATOM 762 C GLY A 66 -6.889 18.995 -0.031 1.00 1.38 C ATOM 763 O GLY A 66 -7.997 18.886 0.493 1.00 2.03 O ATOM 0 H GLY A 66 -4.803 18.152 -2.254 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -7.482 19.042 -2.080 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.823 17.505 -1.557 1.00 1.38 H new ATOM 767 N GLY A 67 -5.821 19.447 0.617 1.00 1.25 N ATOM 768 CA GLY A 67 -5.929 19.910 1.988 1.00 1.70 C ATOM 769 C GLY A 67 -4.919 19.261 2.916 1.00 1.24 C ATOM 770 O GLY A 67 -4.659 18.063 2.817 1.00 1.66 O ATOM 0 H GLY A 67 -4.884 19.501 0.218 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -5.793 20.991 2.012 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -6.935 19.707 2.356 1.00 1.70 H new ATOM 774 N GLU A 68 -4.363 20.058 3.825 1.00 1.38 N ATOM 775 CA GLU A 68 -3.375 19.580 4.790 1.00 1.18 C ATOM 776 C GLU A 68 -4.009 18.587 5.764 1.00 0.94 C ATOM 777 O GLU A 68 -3.665 17.405 5.808 1.00 0.98 O ATOM 778 CB GLU A 68 -2.803 20.768 5.576 1.00 1.50 C ATOM 779 CG GLU A 68 -1.668 20.389 6.522 1.00 1.48 C ATOM 780 CD GLU A 68 -1.281 21.512 7.471 1.00 2.09 C ATOM 781 OE1 GLU A 68 -0.458 22.362 7.075 1.00 2.88 O ATOM 782 OE2 GLU A 68 -1.801 21.558 8.608 1.00 2.25 O ATOM 0 H GLU A 68 -4.583 21.050 3.914 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.575 19.077 4.246 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.442 21.518 4.872 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.605 21.231 6.152 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -1.964 19.516 7.104 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.796 20.100 5.936 1.00 1.48 H new ATOM 789 N GLU A 69 -4.957 19.111 6.540 1.00 0.91 N ATOM 790 CA GLU A 69 -5.498 18.420 7.702 1.00 0.84 C ATOM 791 C GLU A 69 -6.322 17.201 7.313 1.00 0.75 C ATOM 792 O GLU A 69 -6.365 16.209 8.045 1.00 0.78 O ATOM 793 CB GLU A 69 -6.341 19.382 8.540 1.00 0.97 C ATOM 794 CG GLU A 69 -5.573 20.609 8.997 1.00 1.64 C ATOM 795 CD GLU A 69 -6.263 21.327 10.132 1.00 1.97 C ATOM 796 OE1 GLU A 69 -7.346 21.903 9.901 1.00 2.27 O ATOM 797 OE2 GLU A 69 -5.712 21.342 11.252 1.00 2.63 O ATOM 0 H GLU A 69 -5.370 20.029 6.377 1.00 0.91 H new ATOM 0 HA GLU A 69 -4.654 18.066 8.294 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -7.206 19.699 7.957 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -6.722 18.854 9.414 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -4.573 20.312 9.312 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -5.452 21.293 8.157 1.00 1.64 H new ATOM 804 N VAL A 70 -6.974 17.306 6.152 1.00 0.79 N ATOM 805 CA VAL A 70 -7.990 16.346 5.709 1.00 0.86 C ATOM 806 C VAL A 70 -7.381 14.996 5.325 1.00 0.82 C ATOM 807 O VAL A 70 -8.087 13.993 5.242 1.00 1.01 O ATOM 808 CB VAL A 70 -8.804 16.927 4.519 1.00 1.09 C ATOM 809 CG1 VAL A 70 -7.962 17.020 3.254 1.00 1.96 C ATOM 810 CG2 VAL A 70 -10.074 16.127 4.255 1.00 1.41 C ATOM 0 H VAL A 70 -6.811 18.064 5.489 1.00 0.79 H new ATOM 0 HA VAL A 70 -8.659 16.174 6.552 1.00 0.86 H new ATOM 0 HB VAL A 70 -9.097 17.937 4.807 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -8.566 17.431 2.445 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -7.106 17.670 3.434 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -7.611 16.026 2.977 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -10.613 16.567 3.416 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -9.812 15.096 4.018 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -10.707 16.146 5.142 1.00 1.41 H new ATOM 820 N LEU A 71 -6.071 14.975 5.117 1.00 0.72 N ATOM 821 CA LEU A 71 -5.368 13.741 4.796 1.00 0.74 C ATOM 822 C LEU A 71 -5.321 12.840 6.022 1.00 0.70 C ATOM 823 O LEU A 71 -5.656 11.653 5.982 1.00 0.77 O ATOM 824 CB LEU A 71 -3.958 14.070 4.310 1.00 0.84 C ATOM 825 CG LEU A 71 -3.888 14.807 2.966 1.00 1.10 C ATOM 826 CD1 LEU A 71 -2.443 15.064 2.555 1.00 1.62 C ATOM 827 CD2 LEU A 71 -4.610 14.009 1.892 1.00 1.69 C ATOM 0 H LEU A 71 -5.473 15.800 5.165 1.00 0.72 H new ATOM 0 HA LEU A 71 -5.896 13.213 4.002 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -3.462 14.678 5.067 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -3.393 13.142 4.227 1.00 0.84 H new ATOM 0 HG LEU A 71 -4.381 15.772 3.082 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -2.424 15.587 1.599 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -1.952 15.675 3.313 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -1.918 14.114 2.459 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.554 14.542 0.943 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -4.140 13.031 1.788 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -5.655 13.881 2.175 1.00 1.69 H new ATOM 839 N ARG A 72 -4.884 13.477 7.118 1.00 0.70 N ATOM 840 CA ARG A 72 -4.601 12.827 8.399 1.00 0.78 C ATOM 841 C ARG A 72 -5.779 12.009 8.888 1.00 0.92 C ATOM 842 O ARG A 72 -5.619 10.900 9.379 1.00 1.03 O ATOM 843 CB ARG A 72 -4.287 13.879 9.477 1.00 0.77 C ATOM 844 CG ARG A 72 -3.319 14.976 9.060 1.00 1.42 C ATOM 845 CD ARG A 72 -3.299 16.101 10.096 1.00 1.49 C ATOM 846 NE ARG A 72 -4.648 16.639 10.353 1.00 2.11 N ATOM 847 CZ ARG A 72 -4.946 17.549 11.298 1.00 2.48 C ATOM 848 NH1 ARG A 72 -3.999 18.073 12.071 1.00 2.24 N ATOM 849 NH2 ARG A 72 -6.211 17.944 11.456 1.00 3.47 N ATOM 0 H ARG A 72 -4.715 14.483 7.135 1.00 0.70 H new ATOM 0 HA ARG A 72 -3.746 12.171 8.234 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -5.222 14.343 9.790 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -3.877 13.369 10.349 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -2.318 14.561 8.947 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -3.610 15.375 8.088 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -2.874 15.728 11.028 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -2.649 16.903 9.747 1.00 1.49 H new ATOM 0 HE ARG A 72 -5.412 16.296 9.771 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -3.027 17.786 11.953 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -4.244 18.762 12.782 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -6.944 17.556 10.862 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -6.445 18.634 12.170 1.00 3.47 H new ATOM 863 N GLU A 73 -6.962 12.611 8.760 1.00 1.13 N ATOM 864 CA GLU A 73 -8.168 12.145 9.435 1.00 1.55 C ATOM 865 C GLU A 73 -8.761 10.934 8.727 1.00 1.28 C ATOM 866 O GLU A 73 -9.454 10.117 9.335 1.00 1.60 O ATOM 867 CB GLU A 73 -9.180 13.297 9.479 1.00 1.97 C ATOM 868 CG GLU A 73 -10.339 13.079 10.443 1.00 2.63 C ATOM 869 CD GLU A 73 -11.164 14.334 10.665 1.00 3.18 C ATOM 870 OE1 GLU A 73 -10.802 15.137 11.555 1.00 3.55 O ATOM 871 OE2 GLU A 73 -12.178 14.522 9.964 1.00 3.65 O ATOM 0 H GLU A 73 -7.108 13.439 8.182 1.00 1.13 H new ATOM 0 HA GLU A 73 -7.917 11.834 10.449 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -8.658 14.212 9.758 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -9.581 13.451 8.477 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -10.984 12.290 10.056 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -9.949 12.732 11.400 1.00 2.63 H new ATOM 878 N GLN A 74 -8.467 10.830 7.436 1.00 0.77 N ATOM 879 CA GLN A 74 -9.001 9.767 6.589 1.00 0.62 C ATOM 880 C GLN A 74 -7.998 8.633 6.463 1.00 0.56 C ATOM 881 O GLN A 74 -8.203 7.680 5.709 1.00 0.64 O ATOM 882 CB GLN A 74 -9.308 10.330 5.206 1.00 0.63 C ATOM 883 CG GLN A 74 -10.502 11.269 5.177 1.00 0.76 C ATOM 884 CD GLN A 74 -11.802 10.570 5.527 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.205 10.514 6.688 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.468 10.036 4.517 1.00 1.68 N ATOM 0 H GLN A 74 -7.852 11.480 6.946 1.00 0.77 H new ATOM 0 HA GLN A 74 -9.913 9.379 7.043 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.431 10.862 4.837 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.491 9.503 4.520 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.333 12.087 5.877 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -10.587 11.712 4.185 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.098 10.105 3.569 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.351 9.555 4.686 1.00 1.68 H new ATOM 895 N ALA A 75 -6.897 8.772 7.188 1.00 0.55 N ATOM 896 CA ALA A 75 -5.826 7.793 7.174 1.00 0.58 C ATOM 897 C ALA A 75 -6.112 6.663 8.144 1.00 0.52 C ATOM 898 O ALA A 75 -6.681 6.878 9.217 1.00 0.70 O ATOM 899 CB ALA A 75 -4.505 8.464 7.508 1.00 0.70 C ATOM 0 H ALA A 75 -6.724 9.568 7.802 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.760 7.366 6.173 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.707 7.722 7.495 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.293 9.238 6.770 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.566 8.914 8.499 1.00 0.70 H new ATOM 905 N GLY A 76 -5.709 5.462 7.765 1.00 0.49 N ATOM 906 CA GLY A 76 -5.962 4.299 8.585 1.00 0.58 C ATOM 907 C GLY A 76 -6.961 3.352 7.956 1.00 0.48 C ATOM 908 O GLY A 76 -7.423 2.410 8.596 1.00 0.72 O ATOM 0 H GLY A 76 -5.208 5.271 6.897 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -5.025 3.770 8.759 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.333 4.619 9.559 1.00 0.58 H new ATOM 912 N GLY A 77 -7.299 3.607 6.705 1.00 0.42 N ATOM 913 CA GLY A 77 -8.216 2.750 5.990 1.00 0.52 C ATOM 914 C GLY A 77 -8.482 3.292 4.607 1.00 0.44 C ATOM 915 O GLY A 77 -7.897 4.315 4.232 1.00 0.78 O ATOM 0 H GLY A 77 -6.951 4.401 6.167 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.802 1.744 5.919 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -9.153 2.670 6.542 1.00 0.52 H new ATOM 919 N ASP A 78 -9.344 2.623 3.843 1.00 0.55 N ATOM 920 CA ASP A 78 -9.656 3.075 2.491 1.00 0.72 C ATOM 921 C ASP A 78 -10.417 4.388 2.540 1.00 0.67 C ATOM 922 O ASP A 78 -11.560 4.436 3.004 1.00 1.04 O ATOM 923 CB ASP A 78 -10.451 2.036 1.677 1.00 1.14 C ATOM 924 CG ASP A 78 -9.630 0.829 1.258 1.00 1.82 C ATOM 925 OD1 ASP A 78 -8.727 0.986 0.417 1.00 2.59 O ATOM 926 OD2 ASP A 78 -9.865 -0.273 1.797 1.00 2.28 O ATOM 0 H ASP A 78 -9.833 1.776 4.134 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.703 3.216 1.981 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -11.302 1.698 2.269 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -10.854 2.517 0.786 1.00 1.14 H new ATOM 931 N ALA A 79 -9.801 5.447 2.048 1.00 0.54 N ATOM 932 CA ALA A 79 -10.459 6.746 1.976 1.00 0.58 C ATOM 933 C ALA A 79 -11.277 6.843 0.696 1.00 0.56 C ATOM 934 O ALA A 79 -11.632 7.932 0.243 1.00 0.67 O ATOM 935 CB ALA A 79 -9.442 7.878 2.030 1.00 0.73 C ATOM 0 H ALA A 79 -8.845 5.437 1.691 1.00 0.54 H new ATOM 0 HA ALA A 79 -11.121 6.841 2.837 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.960 8.835 1.974 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.884 7.821 2.964 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.753 7.789 1.190 1.00 0.73 H new ATOM 941 N THR A 80 -11.611 5.690 0.141 1.00 0.54 N ATOM 942 CA THR A 80 -12.232 5.623 -1.166 1.00 0.60 C ATOM 943 C THR A 80 -13.687 6.112 -1.140 1.00 0.65 C ATOM 944 O THR A 80 -14.379 6.070 -2.160 1.00 0.84 O ATOM 945 CB THR A 80 -12.134 4.193 -1.736 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.740 4.125 -3.029 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.795 3.191 -0.811 1.00 0.70 C ATOM 0 H THR A 80 -11.460 4.782 0.581 1.00 0.54 H new ATOM 0 HA THR A 80 -11.686 6.297 -1.825 1.00 0.60 H new ATOM 0 HB THR A 80 -11.077 3.943 -1.822 1.00 0.66 H new ATOM 0 HG1 THR A 80 -13.481 4.764 -3.077 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.711 2.191 -1.238 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.302 3.213 0.161 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.848 3.447 -0.690 1.00 0.70 H new ATOM 955 N GLU A 81 -14.148 6.606 0.017 1.00 0.65 N ATOM 956 CA GLU A 81 -15.435 7.299 0.087 1.00 0.79 C ATOM 957 C GLU A 81 -15.428 8.420 -0.935 1.00 0.85 C ATOM 958 O GLU A 81 -16.312 8.536 -1.776 1.00 0.98 O ATOM 959 CB GLU A 81 -15.675 7.934 1.460 1.00 0.91 C ATOM 960 CG GLU A 81 -15.392 7.046 2.655 1.00 1.54 C ATOM 961 CD GLU A 81 -15.630 7.787 3.956 1.00 1.82 C ATOM 962 OE1 GLU A 81 -14.872 8.734 4.256 1.00 2.27 O ATOM 963 OE2 GLU A 81 -16.564 7.408 4.695 1.00 2.27 O ATOM 0 H GLU A 81 -13.653 6.538 0.906 1.00 0.65 H new ATOM 0 HA GLU A 81 -16.219 6.566 -0.102 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -15.055 8.827 1.540 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -16.714 8.261 1.512 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -16.029 6.163 2.614 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -14.360 6.697 2.616 1.00 1.54 H new ATOM 970 N ASN A 82 -14.370 9.224 -0.856 1.00 0.82 N ATOM 971 CA ASN A 82 -14.229 10.428 -1.665 1.00 0.90 C ATOM 972 C ASN A 82 -13.780 10.073 -3.077 1.00 0.94 C ATOM 973 O ASN A 82 -13.631 10.936 -3.927 1.00 1.09 O ATOM 974 CB ASN A 82 -13.211 11.379 -1.013 1.00 0.93 C ATOM 975 CG ASN A 82 -13.711 12.014 0.280 1.00 1.70 C ATOM 976 OD1 ASN A 82 -14.601 11.329 0.984 1.00 2.41 O flip ATOM 977 ND2 ASN A 82 -13.307 13.121 0.636 1.00 2.40 N flip ATOM 0 H ASN A 82 -13.585 9.056 -0.227 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.198 10.925 -1.724 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -12.293 10.829 -0.807 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.958 12.168 -1.721 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -12.621 13.620 0.069 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -13.658 13.539 1.498 1.00 2.40 H new ATOM 984 N PHE A 83 -13.564 8.772 -3.289 1.00 0.85 N ATOM 985 CA PHE A 83 -13.038 8.240 -4.544 1.00 0.89 C ATOM 986 C PHE A 83 -14.191 7.708 -5.382 1.00 1.02 C ATOM 987 O PHE A 83 -14.164 7.744 -6.609 1.00 1.17 O ATOM 988 CB PHE A 83 -12.042 7.115 -4.227 1.00 0.81 C ATOM 989 CG PHE A 83 -11.109 6.762 -5.349 1.00 0.86 C ATOM 990 CD1 PHE A 83 -11.475 5.844 -6.321 1.00 1.20 C ATOM 991 CD2 PHE A 83 -9.854 7.343 -5.420 1.00 0.97 C ATOM 992 CE1 PHE A 83 -10.604 5.514 -7.341 1.00 1.33 C ATOM 993 CE2 PHE A 83 -8.978 7.016 -6.436 1.00 1.06 C ATOM 994 CZ PHE A 83 -9.355 6.103 -7.401 1.00 1.13 C ATOM 0 H PHE A 83 -13.751 8.055 -2.588 1.00 0.85 H new ATOM 0 HA PHE A 83 -12.527 9.022 -5.105 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -11.450 7.407 -3.360 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -12.601 6.223 -3.945 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -12.451 5.382 -6.280 1.00 1.20 H new ATOM 0 HD2 PHE A 83 -9.556 8.062 -4.671 1.00 0.97 H new ATOM 0 HE1 PHE A 83 -10.899 4.796 -8.092 1.00 1.33 H new ATOM 0 HE2 PHE A 83 -8.000 7.473 -6.476 1.00 1.06 H new ATOM 0 HZ PHE A 83 -8.675 5.850 -8.201 1.00 1.13 H new ATOM 1004 N GLU A 84 -15.196 7.190 -4.677 1.00 1.00 N ATOM 1005 CA GLU A 84 -16.406 6.656 -5.292 1.00 1.14 C ATOM 1006 C GLU A 84 -17.425 7.769 -5.513 1.00 1.24 C ATOM 1007 O GLU A 84 -18.435 7.586 -6.193 1.00 1.46 O ATOM 1008 CB GLU A 84 -17.015 5.580 -4.389 1.00 1.20 C ATOM 1009 CG GLU A 84 -16.151 4.334 -4.225 1.00 1.33 C ATOM 1010 CD GLU A 84 -16.840 3.253 -3.410 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -16.738 3.282 -2.163 1.00 2.19 O ATOM 1012 OE2 GLU A 84 -17.488 2.370 -4.015 1.00 2.30 O ATOM 0 H GLU A 84 -15.192 7.130 -3.659 1.00 1.00 H new ATOM 0 HA GLU A 84 -16.143 6.219 -6.255 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -17.201 6.011 -3.405 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -17.982 5.286 -4.796 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -15.899 3.938 -5.209 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.213 4.607 -3.742 1.00 1.33 H new ATOM 1019 N ASP A 85 -17.153 8.910 -4.905 1.00 1.18 N ATOM 1020 CA ASP A 85 -18.022 10.069 -4.993 1.00 1.34 C ATOM 1021 C ASP A 85 -17.275 11.184 -5.707 1.00 1.45 C ATOM 1022 O ASP A 85 -16.711 12.059 -5.055 1.00 1.90 O ATOM 1023 CB ASP A 85 -18.429 10.516 -3.587 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.739 11.267 -3.581 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -20.790 10.611 -3.739 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -19.734 12.500 -3.410 1.00 1.81 O ATOM 0 H ASP A 85 -16.321 9.059 -4.335 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.925 9.820 -5.551 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.511 9.643 -2.940 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -17.647 11.150 -3.169 1.00 1.35 H new ATOM 1031 N VAL A 86 -17.250 11.111 -7.043 1.00 1.34 N ATOM 1032 CA VAL A 86 -16.521 12.063 -7.902 1.00 1.50 C ATOM 1033 C VAL A 86 -15.114 12.353 -7.348 1.00 1.26 C ATOM 1034 O VAL A 86 -14.766 13.483 -6.991 1.00 1.87 O ATOM 1035 CB VAL A 86 -17.320 13.383 -8.173 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -17.594 14.183 -6.907 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -16.601 14.250 -9.204 1.00 2.64 C ATOM 0 H VAL A 86 -17.738 10.385 -7.567 1.00 1.34 H new ATOM 0 HA VAL A 86 -16.407 11.577 -8.871 1.00 1.50 H new ATOM 0 HB VAL A 86 -18.288 13.080 -8.571 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -18.150 15.086 -7.160 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -18.179 13.578 -6.214 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -16.649 14.459 -6.439 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -17.174 15.161 -9.376 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -15.609 14.510 -8.833 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -16.506 13.699 -10.140 1.00 2.64 H new ATOM 1047 N GLY A 87 -14.293 11.310 -7.302 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.985 11.427 -6.699 1.00 1.82 C ATOM 1049 C GLY A 87 -11.853 11.384 -7.696 1.00 1.46 C ATOM 1050 O GLY A 87 -11.693 10.403 -8.429 1.00 2.23 O ATOM 0 H GLY A 87 -14.513 10.386 -7.673 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.933 12.363 -6.143 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -12.853 10.620 -5.978 1.00 1.82 H new ATOM 1054 N HIS A 88 -11.073 12.462 -7.708 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.844 12.556 -8.495 1.00 0.81 C ATOM 1056 C HIS A 88 -10.091 12.525 -10.005 1.00 0.89 C ATOM 1057 O HIS A 88 -11.224 12.378 -10.472 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.866 11.438 -8.107 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.261 11.597 -6.743 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.353 10.648 -5.730 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.522 12.615 -6.236 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.674 11.111 -4.660 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -7.165 12.287 -4.942 1.00 0.48 N ATOM 0 H HIS A 88 -11.277 13.303 -7.167 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.408 13.527 -8.261 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -9.388 10.482 -8.152 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -8.065 11.399 -8.845 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -8.847 9.758 -5.786 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -7.258 13.525 -6.754 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.566 10.594 -3.718 1.00 0.98 H new ATOM 1071 N SER A 89 -9.017 12.698 -10.763 1.00 0.81 N ATOM 1072 CA SER A 89 -9.057 12.544 -12.208 1.00 1.00 C ATOM 1073 C SER A 89 -7.872 11.688 -12.667 1.00 1.00 C ATOM 1074 O SER A 89 -7.103 11.233 -11.809 1.00 1.43 O ATOM 1075 CB SER A 89 -9.060 13.912 -12.902 1.00 1.22 C ATOM 1076 OG SER A 89 -8.014 14.736 -12.423 1.00 1.06 O ATOM 0 H SER A 89 -8.099 12.948 -10.395 1.00 0.81 H new ATOM 0 HA SER A 89 -9.980 12.037 -12.488 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.954 13.776 -13.978 1.00 1.22 H new ATOM 0 HB3 SER A 89 -10.018 14.404 -12.736 1.00 1.22 H new ATOM 0 HG SER A 89 -7.365 14.891 -13.141 1.00 1.06 H new ATOM 1082 N THR A 90 -7.692 11.476 -13.974 1.00 1.14 N ATOM 1083 CA THR A 90 -6.662 10.549 -14.467 1.00 1.15 C ATOM 1084 C THR A 90 -5.255 10.928 -13.971 1.00 1.15 C ATOM 1085 O THR A 90 -4.362 10.080 -13.896 1.00 1.72 O ATOM 1086 CB THR A 90 -6.667 10.461 -16.010 1.00 1.27 C ATOM 1087 OG1 THR A 90 -5.791 9.415 -16.454 1.00 1.45 O ATOM 1088 CG2 THR A 90 -6.244 11.778 -16.648 1.00 1.49 C ATOM 0 H THR A 90 -8.239 11.928 -14.706 1.00 1.14 H new ATOM 0 HA THR A 90 -6.914 9.570 -14.060 1.00 1.15 H new ATOM 0 HB THR A 90 -7.689 10.240 -16.320 1.00 1.27 H new ATOM 0 HG1 THR A 90 -5.805 9.370 -17.433 1.00 1.45 H new ATOM 0 HG21 THR A 90 -6.259 11.678 -17.733 1.00 1.49 H new ATOM 0 HG22 THR A 90 -6.934 12.566 -16.346 1.00 1.49 H new ATOM 0 HG23 THR A 90 -5.236 12.033 -16.321 1.00 1.49 H new ATOM 1096 N ASP A 91 -5.078 12.193 -13.618 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.811 12.689 -13.086 1.00 0.97 C ATOM 1098 C ASP A 91 -3.350 11.850 -11.890 1.00 0.89 C ATOM 1099 O ASP A 91 -2.196 11.425 -11.811 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.969 14.147 -12.655 1.00 1.12 C ATOM 1101 CG ASP A 91 -4.597 15.009 -13.732 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -5.829 14.936 -13.915 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -3.854 15.769 -14.393 1.00 1.90 O ATOM 0 H ASP A 91 -5.805 12.905 -13.691 1.00 0.95 H new ATOM 0 HA ASP A 91 -3.058 12.614 -13.871 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -4.583 14.191 -11.755 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -2.992 14.553 -12.394 1.00 1.12 H new ATOM 1108 N ALA A 92 -4.279 11.594 -10.967 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.969 10.906 -9.715 1.00 0.90 C ATOM 1110 C ALA A 92 -3.932 9.396 -9.906 1.00 0.82 C ATOM 1111 O ALA A 92 -3.669 8.644 -8.968 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.978 11.279 -8.641 1.00 0.97 C ATOM 0 H ALA A 92 -5.260 11.856 -11.066 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.978 11.227 -9.394 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.733 10.758 -7.715 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.947 12.355 -8.471 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.978 10.991 -8.966 1.00 0.97 H new ATOM 1118 N ARG A 93 -4.192 8.967 -11.131 1.00 0.75 N ATOM 1119 CA ARG A 93 -4.138 7.565 -11.503 1.00 0.73 C ATOM 1120 C ARG A 93 -2.694 7.193 -11.857 1.00 0.69 C ATOM 1121 O ARG A 93 -2.333 6.020 -11.998 1.00 0.81 O ATOM 1122 CB ARG A 93 -5.094 7.365 -12.683 1.00 0.82 C ATOM 1123 CG ARG A 93 -5.207 5.948 -13.201 1.00 1.64 C ATOM 1124 CD ARG A 93 -6.292 5.870 -14.261 1.00 1.70 C ATOM 1125 NE ARG A 93 -6.399 4.550 -14.868 1.00 2.71 N ATOM 1126 CZ ARG A 93 -7.510 4.095 -15.445 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -8.623 4.819 -15.422 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -7.513 2.917 -16.047 1.00 4.15 N ATOM 0 H ARG A 93 -4.448 9.587 -11.899 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.446 6.914 -10.685 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -6.086 7.704 -12.385 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.771 8.007 -13.502 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -4.253 5.628 -13.620 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -5.439 5.269 -12.380 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -7.249 6.137 -13.814 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.087 6.606 -15.038 1.00 1.70 H new ATOM 0 HE ARG A 93 -5.580 3.942 -14.850 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -8.630 5.729 -14.961 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -9.471 4.465 -15.866 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -6.663 2.354 -16.070 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -8.366 2.572 -16.488 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.870 8.236 -11.944 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.468 8.127 -12.334 1.00 0.60 C ATOM 1144 C GLU A 94 0.415 8.493 -11.149 1.00 0.58 C ATOM 1145 O GLU A 94 1.305 7.752 -10.745 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.172 9.083 -13.497 1.00 0.68 C ATOM 1147 CG GLU A 94 -0.815 8.696 -14.823 1.00 1.19 C ATOM 1148 CD GLU A 94 -0.303 7.375 -15.359 1.00 1.38 C ATOM 1149 OE1 GLU A 94 0.888 7.303 -15.729 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -1.092 6.409 -15.422 1.00 2.11 O ATOM 0 H GLU A 94 -2.163 9.192 -11.743 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.263 7.103 -12.648 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -0.511 10.082 -13.223 1.00 0.68 H new ATOM 0 HB3 GLU A 94 0.908 9.140 -13.636 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -1.896 8.636 -14.694 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -0.624 9.479 -15.557 1.00 1.19 H new ATOM 1157 N MET A 95 0.125 9.678 -10.619 1.00 0.48 N ATOM 1158 CA MET A 95 0.933 10.350 -9.604 1.00 0.49 C ATOM 1159 C MET A 95 1.107 9.517 -8.343 1.00 0.42 C ATOM 1160 O MET A 95 2.081 9.674 -7.610 1.00 0.50 O ATOM 1161 CB MET A 95 0.247 11.658 -9.233 1.00 0.53 C ATOM 1162 CG MET A 95 1.146 12.624 -8.482 1.00 0.65 C ATOM 1163 SD MET A 95 2.428 13.327 -9.537 1.00 1.09 S ATOM 1164 CE MET A 95 3.253 14.399 -8.367 1.00 1.75 C ATOM 0 H MET A 95 -0.700 10.212 -10.890 1.00 0.48 H new ATOM 0 HA MET A 95 1.925 10.516 -10.025 1.00 0.49 H new ATOM 0 HB2 MET A 95 -0.112 12.141 -10.142 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.628 11.439 -8.621 1.00 0.53 H new ATOM 0 HG2 MET A 95 0.541 13.429 -8.063 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.612 12.106 -7.644 1.00 0.65 H new ATOM 0 HE1 MET A 95 4.077 14.912 -8.862 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.545 15.134 -7.985 1.00 1.75 H new ATOM 0 HE3 MET A 95 3.641 13.805 -7.540 1.00 1.75 H new ATOM 1174 N SER A 96 0.127 8.666 -8.084 1.00 0.34 N ATOM 1175 CA SER A 96 0.011 8.005 -6.799 1.00 0.31 C ATOM 1176 C SER A 96 0.793 6.700 -6.731 1.00 0.31 C ATOM 1177 O SER A 96 0.998 6.162 -5.644 1.00 0.33 O ATOM 1178 CB SER A 96 -1.458 7.726 -6.495 1.00 0.36 C ATOM 1179 OG SER A 96 -2.052 6.959 -7.529 1.00 1.13 O ATOM 0 H SER A 96 -0.602 8.417 -8.752 1.00 0.34 H new ATOM 0 HA SER A 96 0.438 8.680 -6.057 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.543 7.194 -5.548 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.995 8.668 -6.381 1.00 0.36 H new ATOM 0 HG SER A 96 -2.734 7.496 -7.984 1.00 1.13 H new ATOM 1185 N LYS A 97 1.228 6.203 -7.891 1.00 0.36 N ATOM 1186 CA LYS A 97 1.841 4.870 -7.989 1.00 0.43 C ATOM 1187 C LYS A 97 3.037 4.711 -7.050 1.00 0.41 C ATOM 1188 O LYS A 97 3.261 3.643 -6.485 1.00 0.48 O ATOM 1189 CB LYS A 97 2.279 4.592 -9.429 1.00 0.56 C ATOM 1190 CG LYS A 97 1.158 4.662 -10.461 1.00 0.83 C ATOM 1191 CD LYS A 97 1.701 4.358 -11.852 1.00 1.15 C ATOM 1192 CE LYS A 97 0.672 4.530 -12.962 1.00 1.56 C ATOM 1193 NZ LYS A 97 -0.628 3.863 -12.682 1.00 2.15 N ATOM 0 H LYS A 97 1.168 6.702 -8.779 1.00 0.36 H new ATOM 0 HA LYS A 97 1.083 4.148 -7.687 1.00 0.43 H new ATOM 0 HB2 LYS A 97 3.053 5.309 -9.704 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.732 3.602 -9.472 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.374 3.949 -10.205 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.704 5.653 -10.449 1.00 0.83 H new ATOM 0 HD2 LYS A 97 2.550 5.011 -12.052 1.00 1.15 H new ATOM 0 HD3 LYS A 97 2.075 3.334 -11.871 1.00 1.15 H new ATOM 0 HE2 LYS A 97 0.497 5.594 -13.121 1.00 1.56 H new ATOM 0 HE3 LYS A 97 1.082 4.132 -13.890 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 -1.003 3.451 -13.560 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 -0.487 3.110 -11.979 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 -1.304 4.561 -12.311 1.00 2.15 H new ATOM 1207 N THR A 98 3.787 5.787 -6.871 1.00 0.40 N ATOM 1208 CA THR A 98 5.065 5.733 -6.179 1.00 0.46 C ATOM 1209 C THR A 98 4.895 5.879 -4.671 1.00 0.41 C ATOM 1210 O THR A 98 5.871 5.860 -3.918 1.00 0.48 O ATOM 1211 CB THR A 98 5.981 6.844 -6.706 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.243 8.069 -6.778 1.00 1.01 O ATOM 1213 CG2 THR A 98 6.513 6.486 -8.083 1.00 1.15 C ATOM 0 H THR A 98 3.529 6.718 -7.199 1.00 0.40 H new ATOM 0 HA THR A 98 5.512 4.758 -6.372 1.00 0.46 H new ATOM 0 HB THR A 98 6.826 6.960 -6.027 1.00 0.59 H new ATOM 0 HG1 THR A 98 5.825 8.783 -7.113 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.161 7.286 -8.442 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.081 5.558 -8.024 1.00 1.15 H new ATOM 0 HG23 THR A 98 5.679 6.358 -8.773 1.00 1.15 H new ATOM 1221 N PHE A 99 3.645 6.036 -4.248 1.00 0.32 N ATOM 1222 CA PHE A 99 3.312 6.205 -2.838 1.00 0.32 C ATOM 1223 C PHE A 99 2.775 4.907 -2.261 1.00 0.30 C ATOM 1224 O PHE A 99 2.594 4.779 -1.050 1.00 0.31 O ATOM 1225 CB PHE A 99 2.264 7.307 -2.673 1.00 0.34 C ATOM 1226 CG PHE A 99 2.772 8.673 -3.019 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.588 9.360 -2.138 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.434 9.269 -4.221 1.00 0.77 C ATOM 1229 CE1 PHE A 99 4.062 10.616 -2.451 1.00 0.90 C ATOM 1230 CE2 PHE A 99 2.907 10.526 -4.540 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.720 11.202 -3.654 1.00 0.47 C ATOM 0 H PHE A 99 2.837 6.050 -4.870 1.00 0.32 H new ATOM 0 HA PHE A 99 4.219 6.485 -2.302 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.405 7.077 -3.303 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.911 7.310 -1.642 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.857 8.907 -1.195 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.794 8.746 -4.916 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.700 11.141 -1.756 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.641 10.980 -5.483 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.088 12.187 -3.900 1.00 0.47 H new ATOM 1241 N ILE A 100 2.515 3.949 -3.144 1.00 0.32 N ATOM 1242 CA ILE A 100 1.951 2.674 -2.742 1.00 0.32 C ATOM 1243 C ILE A 100 3.043 1.770 -2.166 1.00 0.34 C ATOM 1244 O ILE A 100 3.716 1.063 -2.915 1.00 0.43 O ATOM 1245 CB ILE A 100 1.303 1.935 -3.927 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.462 2.887 -4.780 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.455 0.797 -3.390 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.114 2.243 -6.026 1.00 0.38 C ATOM 0 H ILE A 100 2.688 4.036 -4.145 1.00 0.32 H new ATOM 0 HA ILE A 100 1.189 2.889 -1.993 1.00 0.32 H new ATOM 0 HB ILE A 100 2.086 1.534 -4.571 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.355 3.278 -4.174 1.00 0.32 H new ATOM 0 HG13 ILE A 100 1.077 3.738 -5.073 1.00 0.32 H new ATOM 0 HG21 ILE A 100 -0.009 0.266 -4.221 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.085 0.109 -2.826 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.320 1.198 -2.737 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.698 2.979 -6.579 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.698 1.876 -6.654 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.757 1.410 -5.741 1.00 0.38 H new ATOM 1260 N ILE A 101 3.223 1.794 -0.846 1.00 0.32 N ATOM 1261 CA ILE A 101 4.304 1.035 -0.206 1.00 0.35 C ATOM 1262 C ILE A 101 4.018 -0.465 -0.131 1.00 0.36 C ATOM 1263 O ILE A 101 4.942 -1.272 -0.013 1.00 0.43 O ATOM 1264 CB ILE A 101 4.623 1.569 1.211 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.367 1.608 2.095 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.254 2.946 1.102 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.627 2.077 3.517 1.00 0.38 C ATOM 0 H ILE A 101 2.640 2.326 -0.200 1.00 0.32 H new ATOM 0 HA ILE A 101 5.174 1.179 -0.847 1.00 0.35 H new ATOM 0 HB ILE A 101 5.328 0.889 1.689 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.631 2.267 1.635 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.926 0.612 2.127 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.479 3.323 2.100 1.00 0.46 H new ATOM 0 HG22 ILE A 101 6.175 2.879 0.523 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.561 3.625 0.605 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.692 2.077 4.077 1.00 0.38 H new ATOM 0 HD12 ILE A 101 4.338 1.405 3.998 1.00 0.38 H new ATOM 0 HD13 ILE A 101 4.038 3.086 3.498 1.00 0.38 H new ATOM 1279 N GLY A 102 2.746 -0.838 -0.202 1.00 0.33 N ATOM 1280 CA GLY A 102 2.382 -2.242 -0.144 1.00 0.39 C ATOM 1281 C GLY A 102 0.878 -2.430 -0.112 1.00 0.35 C ATOM 1282 O GLY A 102 0.139 -1.559 -0.568 1.00 0.35 O ATOM 0 H GLY A 102 1.960 -0.195 -0.299 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.795 -2.761 -1.009 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.825 -2.696 0.742 1.00 0.39 H new ATOM 1286 N GLU A 103 0.427 -3.556 0.429 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.001 -3.845 0.533 1.00 0.42 C ATOM 1288 C GLU A 103 -1.343 -4.303 1.948 1.00 0.37 C ATOM 1289 O GLU A 103 -0.557 -4.096 2.869 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.422 -4.897 -0.505 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.160 -4.450 -1.936 1.00 0.74 C ATOM 1292 CD GLU A 103 -1.844 -5.306 -2.978 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -1.551 -6.523 -3.025 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -2.712 -4.794 -3.705 1.00 1.85 O ATOM 0 H GLU A 103 1.031 -4.287 0.804 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.558 -2.932 0.323 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.883 -5.825 -0.314 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.483 -5.115 -0.385 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -1.493 -3.419 -2.051 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -0.086 -4.460 -2.119 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.498 -4.925 2.128 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.917 -5.363 3.452 1.00 0.42 C ATOM 1303 C LEU A 104 -2.600 -6.844 3.679 1.00 0.42 C ATOM 1304 O LEU A 104 -2.535 -7.627 2.735 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.407 -5.079 3.654 1.00 0.51 C ATOM 1306 CG LEU A 104 -4.754 -3.595 3.764 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -6.200 -3.344 3.385 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.491 -3.097 5.173 1.00 1.33 C ATOM 0 H LEU A 104 -3.158 -5.137 1.380 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.353 -4.797 4.193 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.963 -5.510 2.821 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.743 -5.587 4.558 1.00 0.51 H new ATOM 0 HG LEU A 104 -4.119 -3.047 3.068 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -6.420 -2.280 3.472 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -6.368 -3.666 2.357 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -6.854 -3.905 4.053 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -4.742 -2.038 5.238 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -5.104 -3.659 5.878 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -3.438 -3.235 5.417 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.391 -7.213 4.939 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.041 -8.588 5.311 1.00 0.53 C ATOM 1322 C HIS A 105 -3.252 -9.523 5.149 1.00 0.60 C ATOM 1323 O HIS A 105 -4.330 -9.089 4.739 1.00 0.64 O ATOM 1324 CB HIS A 105 -1.539 -8.623 6.769 1.00 0.68 C ATOM 1325 CG HIS A 105 -0.052 -8.698 6.926 1.00 1.13 C ATOM 1326 ND1 HIS A 105 0.730 -7.621 7.269 1.00 1.82 N ATOM 1327 CD2 HIS A 105 0.788 -9.746 6.811 1.00 1.68 C ATOM 1328 CE1 HIS A 105 1.991 -8.003 7.349 1.00 2.41 C ATOM 1329 NE2 HIS A 105 2.053 -9.291 7.074 1.00 2.37 N ATOM 0 H HIS A 105 -2.458 -6.574 5.731 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.249 -8.935 4.648 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -1.899 -7.731 7.282 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -1.986 -9.482 7.270 1.00 0.68 H new ATOM 0 HD2 HIS A 105 0.514 -10.759 6.558 1.00 1.68 H new ATOM 0 HE1 HIS A 105 2.829 -7.369 7.597 1.00 2.41 H new ATOM 0 HE2 HIS A 105 2.903 -9.855 7.059 1.00 2.37 H new ATOM 1338 N PRO A 106 -3.077 -10.836 5.417 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.183 -11.813 5.468 1.00 1.00 C ATOM 1340 C PRO A 106 -5.321 -11.422 6.423 1.00 1.18 C ATOM 1341 O PRO A 106 -6.318 -12.130 6.540 1.00 1.67 O ATOM 1342 CB PRO A 106 -3.497 -13.083 5.974 1.00 1.17 C ATOM 1343 CG PRO A 106 -2.095 -12.954 5.505 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.772 -11.496 5.610 1.00 0.79 C ATOM 0 HA PRO A 106 -4.667 -11.904 4.496 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -3.548 -13.157 7.060 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -3.970 -13.978 5.571 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -1.419 -13.551 6.118 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -1.990 -13.307 4.479 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -1.338 -11.250 6.579 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -1.052 -11.189 4.851 1.00 0.79 H new ATOM 1352 N ASP A 107 -5.148 -10.298 7.119 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.141 -9.811 8.067 1.00 1.47 C ATOM 1354 C ASP A 107 -7.217 -9.012 7.337 1.00 1.22 C ATOM 1355 O ASP A 107 -8.320 -8.834 7.853 1.00 1.47 O ATOM 1356 CB ASP A 107 -5.479 -8.957 9.163 1.00 1.90 C ATOM 1357 CG ASP A 107 -4.915 -7.646 8.652 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -4.111 -7.671 7.699 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -5.290 -6.588 9.190 1.00 3.31 O ATOM 0 H ASP A 107 -4.321 -9.706 7.040 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.610 -10.669 8.548 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -6.212 -8.749 9.942 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -4.677 -9.532 9.626 1.00 1.90 H new ATOM 1364 N ASP A 108 -6.881 -8.515 6.140 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.853 -7.827 5.292 1.00 1.11 C ATOM 1366 C ASP A 108 -7.990 -8.510 3.924 1.00 1.14 C ATOM 1367 O ASP A 108 -9.067 -8.491 3.331 1.00 1.53 O ATOM 1368 CB ASP A 108 -7.473 -6.359 5.057 1.00 1.39 C ATOM 1369 CG ASP A 108 -8.646 -5.548 4.530 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -9.487 -5.116 5.348 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -8.745 -5.361 3.298 1.00 3.44 O ATOM 0 H ASP A 108 -5.945 -8.578 5.741 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.802 -7.874 5.827 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -7.119 -5.922 5.991 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.647 -6.307 4.347 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.897 -9.114 3.445 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.841 -9.688 2.087 1.00 1.18 C ATOM 1378 C ARG A 109 -7.976 -10.686 1.790 1.00 1.48 C ATOM 1379 O ARG A 109 -8.589 -10.616 0.731 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.491 -10.371 1.851 1.00 1.11 C ATOM 1381 CG ARG A 109 -4.512 -9.550 1.038 1.00 1.45 C ATOM 1382 CD ARG A 109 -3.797 -10.429 0.032 1.00 1.73 C ATOM 1383 NE ARG A 109 -4.725 -10.955 -0.977 1.00 2.25 N ATOM 1384 CZ ARG A 109 -4.339 -11.575 -2.088 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -3.043 -11.776 -2.308 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -5.249 -11.998 -2.971 1.00 3.35 N ATOM 0 H ARG A 109 -6.033 -9.221 3.977 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.968 -8.848 1.404 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -5.040 -10.602 2.816 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -5.661 -11.320 1.343 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -5.040 -8.749 0.521 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -3.786 -9.078 1.699 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.010 -9.856 -0.459 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -3.313 -11.257 0.550 1.00 1.73 H new ATOM 0 HE ARG A 109 -5.725 -10.838 -0.816 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -2.354 -11.455 -1.627 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -2.738 -12.251 -3.158 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -6.242 -11.845 -2.793 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -4.951 -12.473 -3.823 1.00 3.35 H new ATOM 1400 N PRO A 110 -8.227 -11.668 2.678 1.00 1.77 N ATOM 1401 CA PRO A 110 -9.384 -12.560 2.572 1.00 2.09 C ATOM 1402 C PRO A 110 -10.647 -11.927 3.133 1.00 2.31 C ATOM 1403 O PRO A 110 -11.763 -12.324 2.781 1.00 2.89 O ATOM 1404 CB PRO A 110 -9.000 -13.771 3.440 1.00 2.66 C ATOM 1405 CG PRO A 110 -7.600 -13.518 3.900 1.00 2.94 C ATOM 1406 CD PRO A 110 -7.387 -12.041 3.804 1.00 2.39 C ATOM 0 HA PRO A 110 -9.600 -12.806 1.532 1.00 2.09 H new ATOM 0 HB2 PRO A 110 -9.677 -13.874 4.288 1.00 2.66 H new ATOM 0 HB3 PRO A 110 -9.062 -14.697 2.868 1.00 2.66 H new ATOM 0 HG2 PRO A 110 -7.458 -13.866 4.923 1.00 2.94 H new ATOM 0 HG3 PRO A 110 -6.884 -14.055 3.279 1.00 2.94 H new ATOM 0 HD2 PRO A 110 -7.686 -11.529 4.719 1.00 2.39 H new ATOM 0 HD3 PRO A 110 -6.340 -11.794 3.627 1.00 2.39 H new ATOM 1414 N LYS A 111 -10.438 -10.931 4.001 1.00 2.13 N ATOM 1415 CA LYS A 111 -11.497 -10.290 4.783 1.00 2.67 C ATOM 1416 C LYS A 111 -12.150 -11.303 5.723 1.00 3.16 C ATOM 1417 O LYS A 111 -12.047 -11.185 6.943 1.00 3.69 O ATOM 1418 CB LYS A 111 -12.537 -9.611 3.881 1.00 2.87 C ATOM 1419 CG LYS A 111 -11.941 -8.549 2.968 1.00 2.82 C ATOM 1420 CD LYS A 111 -12.933 -7.435 2.662 1.00 3.47 C ATOM 1421 CE LYS A 111 -13.170 -6.526 3.866 1.00 3.97 C ATOM 1422 NZ LYS A 111 -11.929 -5.832 4.326 1.00 4.54 N ATOM 0 H LYS A 111 -9.512 -10.542 4.182 1.00 2.13 H new ATOM 0 HA LYS A 111 -11.042 -9.505 5.387 1.00 2.67 H new ATOM 0 HB2 LYS A 111 -13.029 -10.369 3.272 1.00 2.87 H new ATOM 0 HB3 LYS A 111 -13.306 -9.154 4.505 1.00 2.87 H new ATOM 0 HG2 LYS A 111 -11.053 -8.125 3.437 1.00 2.82 H new ATOM 0 HG3 LYS A 111 -11.618 -9.013 2.036 1.00 2.82 H new ATOM 0 HD2 LYS A 111 -12.562 -6.840 1.827 1.00 3.47 H new ATOM 0 HD3 LYS A 111 -13.881 -7.871 2.346 1.00 3.47 H new ATOM 0 HE2 LYS A 111 -13.923 -5.781 3.609 1.00 3.97 H new ATOM 0 HE3 LYS A 111 -13.575 -7.118 4.687 1.00 3.97 H new ATOM 0 HZ1 LYS A 111 -12.187 -4.973 4.852 1.00 4.54 H new ATOM 0 HZ2 LYS A 111 -11.385 -6.467 4.945 1.00 4.54 H new ATOM 0 HZ3 LYS A 111 -11.350 -5.573 3.502 1.00 4.54 H new ATOM 1436 N LEU A 112 -12.798 -12.304 5.140 1.00 3.28 N ATOM 1437 CA LEU A 112 -13.423 -13.370 5.898 1.00 3.87 C ATOM 1438 C LEU A 112 -12.638 -14.675 5.756 1.00 4.03 C ATOM 1439 O LEU A 112 -11.994 -15.115 6.704 1.00 4.40 O ATOM 1440 CB LEU A 112 -14.871 -13.584 5.448 1.00 4.14 C ATOM 1441 CG LEU A 112 -15.617 -14.685 6.206 1.00 4.72 C ATOM 1442 CD1 LEU A 112 -15.838 -14.279 7.653 1.00 5.33 C ATOM 1443 CD2 LEU A 112 -16.938 -15.014 5.527 1.00 5.13 C ATOM 0 H LEU A 112 -12.903 -12.396 4.130 1.00 3.28 H new ATOM 0 HA LEU A 112 -13.422 -13.073 6.947 1.00 3.87 H new ATOM 0 HB2 LEU A 112 -15.416 -12.647 5.564 1.00 4.14 H new ATOM 0 HB3 LEU A 112 -14.876 -13.825 4.385 1.00 4.14 H new ATOM 0 HG LEU A 112 -15.002 -15.585 6.193 1.00 4.72 H new ATOM 0 HD11 LEU A 112 -16.370 -15.073 8.177 1.00 5.33 H new ATOM 0 HD12 LEU A 112 -14.875 -14.108 8.134 1.00 5.33 H new ATOM 0 HD13 LEU A 112 -16.428 -13.363 7.688 1.00 5.33 H new ATOM 0 HD21 LEU A 112 -17.448 -15.799 6.085 1.00 5.13 H new ATOM 0 HD22 LEU A 112 -17.565 -14.123 5.499 1.00 5.13 H new ATOM 0 HD23 LEU A 112 -16.749 -15.357 4.510 1.00 5.13 H new ATOM 1455 N ASN A 113 -12.684 -15.300 4.575 1.00 4.17 N ATOM 1456 CA ASN A 113 -12.073 -16.622 4.419 1.00 4.65 C ATOM 1457 C ASN A 113 -11.513 -16.876 3.008 1.00 4.52 C ATOM 1458 O ASN A 113 -10.747 -17.818 2.821 1.00 4.85 O ATOM 1459 CB ASN A 113 -13.108 -17.702 4.780 1.00 5.14 C ATOM 1460 CG ASN A 113 -12.535 -19.108 4.897 1.00 5.80 C ATOM 1461 OD1 ASN A 113 -11.298 -19.228 5.350 1.00 6.30 O flip ATOM 1462 ND2 ASN A 113 -13.226 -20.089 4.617 1.00 6.14 N flip ATOM 0 H ASN A 113 -13.125 -14.924 3.735 1.00 4.17 H new ATOM 0 HA ASN A 113 -11.220 -16.664 5.096 1.00 4.65 H new ATOM 0 HB2 ASN A 113 -13.579 -17.435 5.726 1.00 5.14 H new ATOM 0 HB3 ASN A 113 -13.892 -17.704 4.023 1.00 5.14 H new ATOM 0 HD21 ASN A 113 -14.177 -19.961 4.270 1.00 6.14 H new ATOM 0 HD22 ASN A 113 -12.847 -21.029 4.732 1.00 6.14 H new ATOM 1469 N LYS A 114 -11.882 -16.021 2.038 1.00 4.52 N ATOM 1470 CA LYS A 114 -11.495 -16.192 0.623 1.00 4.85 C ATOM 1471 C LYS A 114 -12.388 -17.232 -0.068 1.00 5.78 C ATOM 1472 O LYS A 114 -12.432 -18.389 0.338 1.00 6.19 O ATOM 1473 CB LYS A 114 -10.004 -16.555 0.474 1.00 4.78 C ATOM 1474 CG LYS A 114 -9.087 -15.342 0.498 1.00 5.11 C ATOM 1475 CD LYS A 114 -7.635 -15.696 0.816 1.00 5.22 C ATOM 1476 CE LYS A 114 -6.984 -16.564 -0.252 1.00 6.07 C ATOM 1477 NZ LYS A 114 -7.318 -18.004 -0.093 1.00 6.75 N ATOM 0 H LYS A 114 -12.455 -15.195 2.210 1.00 4.52 H new ATOM 0 HA LYS A 114 -11.643 -15.232 0.128 1.00 4.85 H new ATOM 0 HB2 LYS A 114 -9.720 -17.233 1.278 1.00 4.78 H new ATOM 0 HB3 LYS A 114 -9.860 -17.093 -0.463 1.00 4.78 H new ATOM 0 HG2 LYS A 114 -9.130 -14.842 -0.470 1.00 5.11 H new ATOM 0 HG3 LYS A 114 -9.453 -14.632 1.240 1.00 5.11 H new ATOM 0 HD2 LYS A 114 -7.060 -14.777 0.929 1.00 5.22 H new ATOM 0 HD3 LYS A 114 -7.595 -16.217 1.773 1.00 5.22 H new ATOM 0 HE2 LYS A 114 -7.306 -16.226 -1.237 1.00 6.07 H new ATOM 0 HE3 LYS A 114 -5.902 -16.438 -0.209 1.00 6.07 H new ATOM 0 HZ1 LYS A 114 -6.470 -18.579 -0.273 1.00 6.75 H new ATOM 0 HZ2 LYS A 114 -7.655 -18.177 0.875 1.00 6.75 H new ATOM 0 HZ3 LYS A 114 -8.063 -18.264 -0.771 1.00 6.75 H new ATOM 1491 N PRO A 115 -13.133 -16.818 -1.114 1.00 6.36 N ATOM 1492 CA PRO A 115 -14.049 -17.701 -1.849 1.00 7.42 C ATOM 1493 C PRO A 115 -13.313 -18.631 -2.815 1.00 8.03 C ATOM 1494 O PRO A 115 -12.584 -18.173 -3.696 1.00 8.08 O ATOM 1495 CB PRO A 115 -14.955 -16.723 -2.628 1.00 7.93 C ATOM 1496 CG PRO A 115 -14.559 -15.349 -2.185 1.00 7.30 C ATOM 1497 CD PRO A 115 -13.154 -15.463 -1.671 1.00 6.27 C ATOM 0 HA PRO A 115 -14.596 -18.363 -1.177 1.00 7.42 H new ATOM 0 HB2 PRO A 115 -14.821 -16.840 -3.703 1.00 7.93 H new ATOM 0 HB3 PRO A 115 -16.007 -16.913 -2.416 1.00 7.93 H new ATOM 0 HG2 PRO A 115 -14.614 -14.642 -3.013 1.00 7.30 H new ATOM 0 HG3 PRO A 115 -15.229 -14.982 -1.408 1.00 7.30 H new ATOM 0 HD2 PRO A 115 -12.419 -15.339 -2.466 1.00 6.27 H new ATOM 0 HD3 PRO A 115 -12.935 -14.709 -0.915 1.00 6.27 H new ATOM 1505 N PRO A 116 -13.482 -19.951 -2.647 1.00 8.68 N ATOM 1506 CA PRO A 116 -12.844 -20.955 -3.501 1.00 9.51 C ATOM 1507 C PRO A 116 -13.553 -21.139 -4.845 1.00 10.48 C ATOM 1508 O PRO A 116 -13.102 -20.632 -5.872 1.00 10.92 O ATOM 1509 CB PRO A 116 -12.926 -22.250 -2.667 1.00 9.98 C ATOM 1510 CG PRO A 116 -13.486 -21.845 -1.338 1.00 9.58 C ATOM 1511 CD PRO A 116 -14.262 -20.583 -1.581 1.00 8.87 C ATOM 0 HA PRO A 116 -11.827 -20.662 -3.763 1.00 9.51 H new ATOM 0 HB2 PRO A 116 -13.565 -22.988 -3.152 1.00 9.98 H new ATOM 0 HB3 PRO A 116 -11.942 -22.705 -2.554 1.00 9.98 H new ATOM 0 HG2 PRO A 116 -14.129 -22.626 -0.932 1.00 9.58 H new ATOM 0 HG3 PRO A 116 -12.689 -21.679 -0.613 1.00 9.58 H new ATOM 0 HD2 PRO A 116 -15.287 -20.787 -1.891 1.00 8.87 H new ATOM 0 HD3 PRO A 116 -14.316 -19.959 -0.689 1.00 8.87 H new ATOM 1519 N GLU A 117 -14.685 -21.842 -4.826 1.00 10.96 N ATOM 1520 CA GLU A 117 -15.375 -22.228 -6.057 1.00 11.99 C ATOM 1521 C GLU A 117 -16.284 -21.118 -6.589 1.00 12.68 C ATOM 1522 O GLU A 117 -17.469 -21.342 -6.844 1.00 12.96 O ATOM 1523 CB GLU A 117 -16.192 -23.512 -5.843 1.00 12.67 C ATOM 1524 CG GLU A 117 -17.199 -23.436 -4.700 1.00 13.04 C ATOM 1525 CD GLU A 117 -18.020 -24.705 -4.566 1.00 13.71 C ATOM 1526 OE1 GLU A 117 -17.528 -25.671 -3.946 1.00 13.79 O ATOM 1527 OE2 GLU A 117 -19.157 -24.746 -5.087 1.00 14.28 O ATOM 0 H GLU A 117 -15.144 -22.156 -3.971 1.00 10.96 H new ATOM 0 HA GLU A 117 -14.603 -22.410 -6.804 1.00 11.99 H new ATOM 0 HB2 GLU A 117 -16.724 -23.747 -6.765 1.00 12.67 H new ATOM 0 HB3 GLU A 117 -15.506 -24.337 -5.652 1.00 12.67 H new ATOM 0 HG2 GLU A 117 -16.670 -23.248 -3.766 1.00 13.04 H new ATOM 0 HG3 GLU A 117 -17.867 -22.590 -4.864 1.00 13.04 H new ATOM 1534 N THR A 118 -15.708 -19.934 -6.778 1.00 13.09 N ATOM 1535 CA THR A 118 -16.425 -18.774 -7.322 1.00 13.91 C ATOM 1536 C THR A 118 -17.798 -18.572 -6.672 1.00 14.25 C ATOM 1537 O THR A 118 -18.819 -18.533 -7.356 1.00 14.32 O ATOM 1538 CB THR A 118 -16.580 -18.879 -8.859 1.00 14.52 C ATOM 1539 OG1 THR A 118 -17.154 -20.138 -9.230 1.00 14.48 O ATOM 1540 CG2 THR A 118 -15.234 -18.719 -9.548 1.00 14.97 C ATOM 0 H THR A 118 -14.729 -19.747 -6.559 1.00 13.09 H new ATOM 0 HA THR A 118 -15.815 -17.902 -7.084 1.00 13.91 H new ATOM 0 HB THR A 118 -17.245 -18.076 -9.178 1.00 14.52 H new ATOM 0 HG1 THR A 118 -17.669 -20.497 -8.478 1.00 14.48 H new ATOM 0 HG21 THR A 118 -15.366 -18.796 -10.627 1.00 14.97 H new ATOM 0 HG22 THR A 118 -14.813 -17.744 -9.303 1.00 14.97 H new ATOM 0 HG23 THR A 118 -14.556 -19.502 -9.209 1.00 14.97 H new ATOM 1548 N LEU A 119 -17.802 -18.449 -5.346 1.00 14.62 N ATOM 1549 CA LEU A 119 -19.032 -18.235 -4.580 1.00 15.15 C ATOM 1550 C LEU A 119 -19.835 -17.060 -5.135 1.00 15.86 C ATOM 1551 O LEU A 119 -20.925 -17.238 -5.674 1.00 16.21 O ATOM 1552 CB LEU A 119 -18.684 -17.974 -3.117 1.00 15.53 C ATOM 1553 CG LEU A 119 -19.879 -17.775 -2.190 1.00 15.30 C ATOM 1554 CD1 LEU A 119 -20.729 -19.032 -2.131 1.00 15.43 C ATOM 1555 CD2 LEU A 119 -19.400 -17.385 -0.804 1.00 15.51 C ATOM 0 H LEU A 119 -16.959 -18.494 -4.774 1.00 14.62 H new ATOM 0 HA LEU A 119 -19.645 -19.133 -4.662 1.00 15.15 H new ATOM 0 HB2 LEU A 119 -18.092 -18.811 -2.746 1.00 15.53 H new ATOM 0 HB3 LEU A 119 -18.051 -17.088 -3.063 1.00 15.53 H new ATOM 0 HG LEU A 119 -20.498 -16.970 -2.586 1.00 15.30 H new ATOM 0 HD11 LEU A 119 -21.576 -18.868 -1.464 1.00 15.43 H new ATOM 0 HD12 LEU A 119 -21.095 -19.271 -3.130 1.00 15.43 H new ATOM 0 HD13 LEU A 119 -20.128 -19.861 -1.757 1.00 15.43 H new ATOM 0 HD21 LEU A 119 -20.259 -17.245 -0.148 1.00 15.51 H new ATOM 0 HD22 LEU A 119 -18.763 -18.174 -0.404 1.00 15.51 H new ATOM 0 HD23 LEU A 119 -18.833 -16.456 -0.863 1.00 15.51 H new ATOM 1567 N ILE A 120 -19.299 -15.856 -4.983 1.00 16.20 N ATOM 1568 CA ILE A 120 -19.876 -14.681 -5.614 1.00 17.02 C ATOM 1569 C ILE A 120 -18.804 -13.990 -6.433 1.00 17.51 C ATOM 1570 O ILE A 120 -18.071 -13.139 -5.935 1.00 17.80 O ATOM 1571 CB ILE A 120 -20.487 -13.687 -4.594 1.00 17.69 C ATOM 1572 CG1 ILE A 120 -21.543 -14.398 -3.739 1.00 17.88 C ATOM 1573 CG2 ILE A 120 -21.095 -12.481 -5.314 1.00 18.24 C ATOM 1574 CD1 ILE A 120 -22.222 -13.506 -2.723 1.00 18.20 C ATOM 0 H ILE A 120 -18.464 -15.670 -4.427 1.00 16.20 H new ATOM 0 HA ILE A 120 -20.695 -15.014 -6.251 1.00 17.02 H new ATOM 0 HB ILE A 120 -19.695 -13.324 -3.940 1.00 17.69 H new ATOM 0 HG12 ILE A 120 -22.301 -14.823 -4.397 1.00 17.88 H new ATOM 0 HG13 ILE A 120 -21.071 -15.231 -3.217 1.00 17.88 H new ATOM 0 HG21 ILE A 120 -21.519 -11.795 -4.581 1.00 18.24 H new ATOM 0 HG22 ILE A 120 -20.320 -11.969 -5.884 1.00 18.24 H new ATOM 0 HG23 ILE A 120 -21.880 -12.819 -5.991 1.00 18.24 H new ATOM 0 HD11 ILE A 120 -22.954 -14.086 -2.161 1.00 18.20 H new ATOM 0 HD12 ILE A 120 -21.477 -13.101 -2.038 1.00 18.20 H new ATOM 0 HD13 ILE A 120 -22.726 -12.687 -3.237 1.00 18.20 H new ATOM 1586 N THR A 121 -18.678 -14.417 -7.674 1.00 17.74 N ATOM 1587 CA THR A 121 -17.701 -13.850 -8.579 1.00 18.36 C ATOM 1588 C THR A 121 -18.404 -13.270 -9.802 1.00 19.19 C ATOM 1589 O THR A 121 -18.101 -12.153 -10.215 1.00 19.58 O ATOM 1590 CB THR A 121 -16.674 -14.918 -9.002 1.00 18.34 C ATOM 1591 OG1 THR A 121 -16.204 -15.610 -7.840 1.00 18.55 O ATOM 1592 CG2 THR A 121 -15.491 -14.293 -9.726 1.00 18.03 C ATOM 0 H THR A 121 -19.246 -15.161 -8.080 1.00 17.74 H new ATOM 0 HA THR A 121 -17.168 -13.049 -8.066 1.00 18.36 H new ATOM 0 HB THR A 121 -17.165 -15.612 -9.684 1.00 18.34 H new ATOM 0 HG1 THR A 121 -15.284 -15.913 -7.989 1.00 18.55 H new ATOM 0 HG21 THR A 121 -14.785 -15.073 -10.011 1.00 18.03 H new ATOM 0 HG22 THR A 121 -15.842 -13.778 -10.620 1.00 18.03 H new ATOM 0 HG23 THR A 121 -14.997 -13.580 -9.067 1.00 18.03 H new ATOM 1600 N THR A 122 -19.353 -14.027 -10.355 1.00 19.55 N ATOM 1601 CA THR A 122 -20.186 -13.555 -11.459 1.00 20.46 C ATOM 1602 C THR A 122 -19.333 -13.026 -12.615 1.00 21.12 C ATOM 1603 O THR A 122 -19.479 -11.882 -13.059 1.00 21.25 O ATOM 1604 CB THR A 122 -21.180 -12.477 -10.972 1.00 20.60 C ATOM 1605 OG1 THR A 122 -21.769 -12.907 -9.735 1.00 20.58 O ATOM 1606 CG2 THR A 122 -22.287 -12.234 -11.997 1.00 20.60 C ATOM 0 H THR A 122 -19.564 -14.978 -10.052 1.00 19.55 H new ATOM 0 HA THR A 122 -20.757 -14.405 -11.832 1.00 20.46 H new ATOM 0 HB THR A 122 -20.633 -11.544 -10.833 1.00 20.60 H new ATOM 0 HG1 THR A 122 -22.400 -12.227 -9.419 1.00 20.58 H new ATOM 0 HG21 THR A 122 -22.968 -11.470 -11.622 1.00 20.60 H new ATOM 0 HG22 THR A 122 -21.846 -11.898 -12.936 1.00 20.60 H new ATOM 0 HG23 THR A 122 -22.837 -13.160 -12.165 1.00 20.60 H new ATOM 1614 N ILE A 123 -18.423 -13.868 -13.082 1.00 21.64 N ATOM 1615 CA ILE A 123 -17.614 -13.551 -14.241 1.00 22.40 C ATOM 1616 C ILE A 123 -18.209 -14.245 -15.457 1.00 22.78 C ATOM 1617 O ILE A 123 -18.503 -15.441 -15.416 1.00 22.98 O ATOM 1618 CB ILE A 123 -16.128 -13.953 -14.038 1.00 23.08 C ATOM 1619 CG1 ILE A 123 -15.487 -13.074 -12.954 1.00 23.05 C ATOM 1620 CG2 ILE A 123 -15.338 -13.851 -15.338 1.00 23.52 C ATOM 1621 CD1 ILE A 123 -15.491 -11.590 -13.275 1.00 23.60 C ATOM 0 H ILE A 123 -18.228 -14.781 -12.670 1.00 21.64 H new ATOM 0 HA ILE A 123 -17.623 -12.472 -14.393 1.00 22.40 H new ATOM 0 HB ILE A 123 -16.103 -14.994 -13.716 1.00 23.08 H new ATOM 0 HG12 ILE A 123 -16.015 -13.233 -12.014 1.00 23.05 H new ATOM 0 HG13 ILE A 123 -14.458 -13.399 -12.800 1.00 23.05 H new ATOM 0 HG21 ILE A 123 -14.302 -14.140 -15.158 1.00 23.52 H new ATOM 0 HG22 ILE A 123 -15.776 -14.515 -16.083 1.00 23.52 H new ATOM 0 HG23 ILE A 123 -15.370 -12.825 -15.704 1.00 23.52 H new ATOM 0 HD11 ILE A 123 -15.021 -11.040 -12.460 1.00 23.60 H new ATOM 0 HD12 ILE A 123 -14.937 -11.416 -14.197 1.00 23.60 H new ATOM 0 HD13 ILE A 123 -16.518 -11.247 -13.399 1.00 23.60 H new ATOM 1633 N ASP A 124 -18.411 -13.462 -16.506 1.00 22.96 N ATOM 1634 CA ASP A 124 -19.084 -13.903 -17.725 1.00 23.43 C ATOM 1635 C ASP A 124 -18.508 -15.209 -18.257 1.00 23.78 C ATOM 1636 O ASP A 124 -17.462 -15.201 -18.905 1.00 23.78 O ATOM 1637 CB ASP A 124 -18.962 -12.823 -18.803 1.00 23.94 C ATOM 1638 CG ASP A 124 -19.621 -11.511 -18.418 1.00 24.17 C ATOM 1639 OD1 ASP A 124 -19.181 -10.872 -17.434 1.00 24.20 O ATOM 1640 OD2 ASP A 124 -20.568 -11.097 -19.113 1.00 24.41 O ATOM 0 H ASP A 124 -18.109 -12.488 -16.538 1.00 22.96 H new ATOM 0 HA ASP A 124 -20.131 -14.074 -17.476 1.00 23.43 H new ATOM 0 HB2 ASP A 124 -17.907 -12.644 -19.010 1.00 23.94 H new ATOM 0 HB3 ASP A 124 -19.411 -13.189 -19.726 1.00 23.94 H new ATOM 1645 N SER A 125 -19.201 -16.314 -17.984 1.00 24.16 N ATOM 1646 CA SER A 125 -18.861 -17.626 -18.536 1.00 24.63 C ATOM 1647 C SER A 125 -17.422 -18.022 -18.207 1.00 24.84 C ATOM 1648 O SER A 125 -16.493 -17.739 -18.966 1.00 25.03 O ATOM 1649 CB SER A 125 -19.097 -17.646 -20.050 1.00 25.24 C ATOM 1650 OG SER A 125 -20.419 -17.228 -20.358 1.00 25.57 O ATOM 0 H SER A 125 -20.017 -16.325 -17.372 1.00 24.16 H new ATOM 0 HA SER A 125 -19.516 -18.362 -18.070 1.00 24.63 H new ATOM 0 HB2 SER A 125 -18.379 -16.991 -20.544 1.00 25.24 H new ATOM 0 HB3 SER A 125 -18.929 -18.651 -20.436 1.00 25.24 H new ATOM 0 HG SER A 125 -20.550 -17.246 -21.329 1.00 25.57 H new ATOM 1656 N SER A 126 -17.273 -18.689 -17.061 1.00 24.89 N ATOM 1657 CA SER A 126 -15.973 -18.963 -16.450 1.00 25.18 C ATOM 1658 C SER A 126 -14.913 -19.437 -17.442 1.00 25.41 C ATOM 1659 O SER A 126 -13.973 -18.699 -17.750 1.00 25.51 O ATOM 1660 CB SER A 126 -16.136 -20.007 -15.350 1.00 25.59 C ATOM 1661 OG SER A 126 -14.879 -20.434 -14.851 1.00 25.84 O ATOM 0 H SER A 126 -18.060 -19.057 -16.526 1.00 24.89 H new ATOM 0 HA SER A 126 -15.619 -18.016 -16.044 1.00 25.18 H new ATOM 0 HB2 SER A 126 -16.730 -19.591 -14.536 1.00 25.59 H new ATOM 0 HB3 SER A 126 -16.685 -20.865 -15.739 1.00 25.59 H new ATOM 0 HG SER A 126 -14.518 -21.136 -15.431 1.00 25.84 H new ATOM 1667 N SER A 127 -15.058 -20.666 -17.927 1.00 25.58 N ATOM 1668 CA SER A 127 -14.020 -21.286 -18.732 1.00 25.89 C ATOM 1669 C SER A 127 -14.580 -22.396 -19.624 1.00 26.06 C ATOM 1670 O SER A 127 -15.692 -22.879 -19.404 1.00 26.48 O ATOM 1671 CB SER A 127 -12.943 -21.851 -17.802 1.00 26.15 C ATOM 1672 OG SER A 127 -13.526 -22.495 -16.677 1.00 26.55 O ATOM 0 H SER A 127 -15.882 -21.248 -17.776 1.00 25.58 H new ATOM 0 HA SER A 127 -13.592 -20.528 -19.389 1.00 25.89 H new ATOM 0 HB2 SER A 127 -12.321 -22.560 -18.349 1.00 26.15 H new ATOM 0 HB3 SER A 127 -12.289 -21.046 -17.466 1.00 26.15 H new ATOM 0 HG SER A 127 -12.818 -22.849 -16.099 1.00 26.55 H new ATOM 1678 N SER A 128 -13.798 -22.787 -20.628 1.00 25.83 N ATOM 1679 CA SER A 128 -14.145 -23.896 -21.504 1.00 26.03 C ATOM 1680 C SER A 128 -13.017 -24.923 -21.498 1.00 25.96 C ATOM 1681 O SER A 128 -13.158 -25.965 -20.826 1.00 26.15 O ATOM 1682 CB SER A 128 -14.392 -23.384 -22.926 1.00 26.24 C ATOM 1683 OG SER A 128 -13.280 -22.635 -23.400 1.00 26.24 O ATOM 1684 OXT SER A 128 -11.964 -24.647 -22.119 1.00 25.79 O ATOM 0 H SER A 128 -12.908 -22.343 -20.854 1.00 25.83 H new ATOM 0 HA SER A 128 -15.058 -24.369 -21.143 1.00 26.03 H new ATOM 0 HB2 SER A 128 -14.578 -24.226 -23.592 1.00 26.24 H new ATOM 0 HB3 SER A 128 -15.287 -22.762 -22.942 1.00 26.24 H new ATOM 0 HG SER A 128 -12.449 -23.062 -23.106 1.00 26.24 H new TER 1690 SER A 128 HETATM 1691 FE HEM A 129 -5.849 13.679 -3.494 1.00 0.38 FE HETATM 1692 CHA HEM A 129 -6.377 16.293 -5.627 1.00 0.50 C HETATM 1693 CHB HEM A 129 -3.077 12.681 -5.373 1.00 0.41 C HETATM 1694 CHC HEM A 129 -5.230 11.083 -1.260 1.00 0.38 C HETATM 1695 CHD HEM A 129 -8.732 14.494 -1.709 1.00 0.47 C HETATM 1696 NA HEM A 129 -4.884 14.377 -5.183 1.00 0.41 N HETATM 1697 C1A HEM A 129 -5.313 15.441 -5.904 1.00 0.46 C HETATM 1698 C2A HEM A 129 -4.490 15.535 -7.082 1.00 0.49 C HETATM 1699 C3A HEM A 129 -3.477 14.604 -6.953 1.00 0.47 C HETATM 1700 C4A HEM A 129 -3.786 13.818 -5.776 1.00 0.42 C HETATM 1701 CMA HEM A 129 -2.284 14.413 -7.866 1.00 0.54 C HETATM 1702 CAA HEM A 129 -4.758 16.484 -8.228 1.00 0.58 C HETATM 1703 CBA HEM A 129 -6.084 16.504 -9.008 1.00 0.94 C HETATM 1704 CGA HEM A 129 -6.112 15.745 -10.334 1.00 1.22 C HETATM 1705 O1A HEM A 129 -6.032 16.449 -11.362 1.00 2.03 O HETATM 1706 O2A HEM A 129 -6.225 14.490 -10.312 1.00 1.18 O HETATM 1707 NB HEM A 129 -4.394 12.222 -3.309 1.00 0.36 N HETATM 1708 C1B HEM A 129 -3.341 12.028 -4.171 1.00 0.37 C HETATM 1709 C2B HEM A 129 -2.497 10.999 -3.616 1.00 0.37 C HETATM 1710 C3B HEM A 129 -3.091 10.598 -2.445 1.00 0.35 C HETATM 1711 C4B HEM A 129 -4.329 11.313 -2.287 1.00 0.35 C HETATM 1712 CMB HEM A 129 -1.222 10.499 -4.234 1.00 0.43 C HETATM 1713 CAB HEM A 129 -2.555 9.585 -1.456 1.00 0.38 C HETATM 1714 CBB HEM A 129 -2.586 8.261 -1.690 1.00 0.52 C HETATM 1715 NC HEM A 129 -6.813 12.917 -1.790 1.00 0.39 N HETATM 1716 C1C HEM A 129 -6.357 11.862 -1.043 1.00 0.40 C HETATM 1717 C2C HEM A 129 -7.254 11.683 0.074 1.00 0.49 C HETATM 1718 C3C HEM A 129 -8.242 12.638 -0.064 1.00 0.47 C HETATM 1719 C4C HEM A 129 -7.966 13.420 -1.246 1.00 0.43 C HETATM 1720 CMC HEM A 129 -7.104 10.648 1.164 1.00 0.64 C HETATM 1721 CAC HEM A 129 -9.429 12.855 0.866 1.00 0.55 C HETATM 1722 CBC HEM A 129 -9.360 12.770 2.218 1.00 0.66 C HETATM 1723 ND HEM A 129 -7.289 15.126 -3.643 1.00 0.44 N HETATM 1724 C1D HEM A 129 -8.368 15.263 -2.819 1.00 0.47 C HETATM 1725 C2D HEM A 129 -9.129 16.388 -3.296 1.00 0.54 C HETATM 1726 C3D HEM A 129 -8.498 16.858 -4.434 1.00 0.55 C HETATM 1727 C4D HEM A 129 -7.302 16.079 -4.610 1.00 0.49 C HETATM 1728 CMD HEM A 129 -10.383 16.911 -2.644 1.00 0.62 C HETATM 1729 CAD HEM A 129 -8.945 17.968 -5.363 1.00 0.65 C HETATM 1730 CBD HEM A 129 -9.879 19.117 -4.987 1.00 1.49 C HETATM 1731 CGD HEM A 129 -9.130 20.432 -4.805 1.00 2.30 C HETATM 1732 O1D HEM A 129 -9.499 21.397 -5.507 1.00 3.20 O HETATM 1733 O2D HEM A 129 -8.204 20.456 -3.966 1.00 2.66 O HETATM 0 HMA1 HEM A 129 -1.448 14.013 -7.293 1.00 0.54 H new HETATM 0 HMA2 HEM A 129 -2.001 15.372 -8.300 1.00 0.54 H new HETATM 0 HMA3 HEM A 129 -2.544 13.717 -8.663 1.00 0.54 H new HETATM 0 HMB1 HEM A 129 -1.283 10.590 -5.318 1.00 0.43 H new HETATM 0 HMB2 HEM A 129 -1.073 9.453 -3.965 1.00 0.43 H new HETATM 0 HMB3 HEM A 129 -0.383 11.091 -3.867 1.00 0.43 H new HETATM 0 HMC1 HEM A 129 -6.603 9.767 0.763 1.00 0.64 H new HETATM 0 HMC2 HEM A 129 -8.089 10.367 1.537 1.00 0.64 H new HETATM 0 HMC3 HEM A 129 -6.511 11.062 1.980 1.00 0.64 H new HETATM 0 HMD1 HEM A 129 -10.908 16.091 -2.154 1.00 0.62 H new HETATM 0 HMD2 HEM A 129 -11.029 17.354 -3.402 1.00 0.62 H new HETATM 0 HMD3 HEM A 129 -10.120 17.667 -1.904 1.00 0.62 H new HETATM 0 HBB1 HEM A 129 -2.188 7.567 -0.949 1.00 0.52 H new HETATM 0 HBB2 HEM A 129 -3.009 7.882 -2.620 1.00 0.52 H new HETATM 0 HBC1 HEM A 129 -10.252 12.938 2.821 1.00 0.66 H new HETATM 0 HBC2 HEM A 129 -8.412 12.534 2.702 1.00 0.66 H new HETATM 0 HBA1 HEM A 129 -6.347 17.543 -9.205 1.00 0.94 H new HETATM 0 HBA2 HEM A 129 -6.863 16.094 -8.365 1.00 0.94 H new HETATM 0 HAA1 HEM A 129 -3.970 16.313 -8.962 1.00 0.58 H new HETATM 0 HAA2 HEM A 129 -4.615 17.491 -7.836 1.00 0.58 H new HETATM 0 HBD1 HEM A 129 -10.404 18.869 -4.064 1.00 1.49 H new HETATM 0 HBD2 HEM A 129 -10.636 19.236 -5.762 1.00 1.49 H new HETATM 0 HAD1 HEM A 129 -9.411 17.473 -6.215 1.00 0.65 H new HETATM 0 HAD2 HEM A 129 -8.031 18.436 -5.728 1.00 0.65 H new HETATM 0 HHA HEM A 129 -6.492 17.175 -6.239 1.00 0.50 H new HETATM 0 HHB HEM A 129 -2.299 12.297 -6.016 1.00 0.41 H new HETATM 0 HHC HEM A 129 -5.045 10.254 -0.593 1.00 0.38 H new HETATM 0 HHD HEM A 129 -9.645 14.741 -1.187 1.00 0.47 H new HETATM 0 HAB HEM A 129 -2.128 9.942 -0.519 1.00 0.38 H new HETATM 0 HAC HEM A 129 -10.393 13.093 0.417 1.00 0.55 H new